SCHEMBL19155216

SCHEMBL19155216

C[C@H]1C2C1[C@@H]1C[C@H]2[C@@H](C(=O)N[C@H](C#N)Cc2ccc(-c3ccc(C#N)s3)cc2F)N1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.56
▸ CTSK P43235 17/20 0.56

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
SCHEMBL19155215 1.00 CTSC (0.56) CTSCCTSK
SCHEMBL21076198 1.00 CTSC (0.56) CTSCCTSK
SCHEMBL19155097 0.93 CTSC (0.58) CTSCCTSK
SCHEMBL16064148 0.91 CTSC (0.65) CTSCCTSK
SCHEMBL21076277 0.88 CTSC (0.58) CTSCCTSK
SCHEMBL22643225 0.88 CTSC (0.58) CTSCCTSK
SCHEMBL21076278 0.88 CTSC (0.58) CTSCCTSK
SCHEMBL22643101 0.87 CTSC (0.59) CTSCCTSK
SCHEMBL21076190 0.87 CTSC (0.59) CTSCCTSK
SCHEMBL21076191 0.87 CTSC (0.59) 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
US-9713606-B2 Methods for treating pulmonary emphysema using substituted 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-07-25 — — US disclosed
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