SCHEMBL31536771

SCHEMBL31536771

CN1[C@H](C(=O)N[C@H](C#N)Cc2ccc(-c3ccc(C#N)cc3)cc2)C[C@@H]2CCC[C@@H]21

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.65
▸ KCNH2 Q12809 3/20 0.59
▸ CTSK P43235 3/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30738936 0.85 CTSC (0.56) CTSCKCNH2CTSK
SCHEMBL30738919 0.78 CTSC (1.00) CTSCKCNH2CTSK
SCHEMBL27377188 0.78 CTSC (1.00) CTSCKCNH2CTSK
SCHEMBL30738906 0.75 CTSC (0.51) CTSCKCNH2CTSK
SCHEMBL16071104 0.74 CTSC (1.00) CTSCCTSK
SCHEMBL2072228 0.74 CTSC (1.00) CTSCKCNH2CTSK
SCHEMBL289950 0.74 CTSC (0.67) CTSCKCNH2CTSK
SCHEMBL30738860 0.74 CTSC (0.49) CTSCCTSK
SCHEMBL27381736 0.73 CTSC (1.00) CTSCKCNH2CTSK
SCHEMBL27125666 0.73 CTSC (0.80) CTSCKCNH2CTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059526-A1 DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2025-03-20 — — WO disclosed
Send feedback