In this study, using computational tools of virtual screening and molecular docking simulations, we investigated an in-house developed library of thirty previously and newly synthesized isonipecotamide-based inhibitors of blood coagulation factors, namely thr and/or fXa, the purpose being the discovery of new multimodal agents inhibiting other AD-related enzymes, such as AChE and BChE, while maintaining almost intact their anticoagulant potency. Here, ACHE is linked to Alzheimer disease.