Interestingly, among the screened compounds, the isonipecotamide derivative 1 (Figure 1) [15] was flagged by MuSSeL as a putative binder of several AD-related protein targets, which include a number of heterologous cholinesterases (e.g., electric eel AChE and equine butyrylcholinesterase BChE). Here, ACHE is linked to Alzheimer disease.