SCHEMBL22642854

SCHEMBL22642854

CCSc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3C4CC(C5C(C)C45)N3C(=O)OC(C)(C)C)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.43
▸ CTSK P43235 17/20 0.43

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
SCHEMBL22642852 0.89 CTSC (0.56) CTSCCTSK
SCHEMBL21966266 0.89 CTSC (0.54) CTSCCTSK
SCHEMBL21076192 0.88 CTSC (0.56) CTSCCTSK
SCHEMBL19155051 0.88 CTSC (0.56) CTSCCTSK
SCHEMBL21076285 0.88 CTSC (0.56) CTSCCTSK
SCHEMBL21076193 0.88 CTSC (0.56) CTSCCTSK
SCHEMBL19155034 0.88 CTSC (0.55) CTSCCTSK
SCHEMBL19155143 0.88 CTSC (0.55) CTSCCTSK
SCHEMBL21076289 0.87 CTSC (0.57) CTSCCTSK
SCHEMBL21076291 0.87 CTSC (0.57) 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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