SCHEMBL22642966

SCHEMBL22642966

Cc1nc(C)c(-c2ccc(C[C@@H](N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)s1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.78
▸ CTSK P43235 16/20 0.78

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
SCHEMBL16064551 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL22643473 0.84 CTSC (0.80) CTSCCTSK
SCHEMBL22643460 0.83 CTSC (0.78) CTSCCTSK
SCHEMBL22643144 0.83 CTSC (0.58) CTSCCTSK
SCHEMBL22642950 0.83 CTSC (0.79) CTSCCTSK
SCHEMBL22643002 0.82 CTSC (0.63) CTSCCTSK
SCHEMBL22643008 0.82 CTSC (0.78) CTSCCTSK
SCHEMBL22642972 0.81 CTSC (0.78) CTSCCTSK
SCHEMBL22643256 0.81 CTSC (0.77) CTSCCTSK
SCHEMBL22643338 0.81 CTSC (0.79) 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
EP-2970283-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-11-11 — — EP disclosed
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