SCHEMBL16064704

SCHEMBL16064704

COc1cc(-c2cn(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)nn2)ccc1O

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.90
▸ CTSK P43235 16/20 0.90

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
SCHEMBL16075227 0.95 CTSC (1.00) CTSCCTSK
SCHEMBL19368451 0.90 CTSC (0.86) CTSCCTSK
SCHEMBL16641669 0.90 CTSC (0.85) CTSCCTSK
SCHEMBL22643375 0.89 CTSC (0.78) CTSCCTSK
SCHEMBL16064724 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16587708 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL16075230 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL19368442 0.87 CTSC (0.85) CTSCCTSK
SCHEMBL16064229 0.86 CTSC (0.86) CTSCCTSK
SCHEMBL16064561 0.86 CTSC (0.83) CTSCCTSK

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-2014140075-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 — — WO disclosed
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