SCHEMBL19155342

SCHEMBL19155342

C[C@@H]1[C@H](C)[C@@H]2C[C@H]1[C@@H](C(=O)N[C@H](C#N)Cc1ccc(-c3ccc(C(N)=O)cc3)cc1F)N2C(=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 16/20 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
SCHEMBL19155039 0.94 CTSC (0.58) CTSCCTSK
SCHEMBL21966266 0.93 CTSC (0.54) CTSCCTSK
SCHEMBL16075191 0.92 CTSC (0.62) CTSCCTSK
SCHEMBL19155179 0.90 CTSC (0.54) CTSCCTSK
SCHEMBL19368416 0.89 CTSC (0.58) CTSCCTSK
SCHEMBL21076178 0.87 CTSC (0.56) CTSCCTSK
SCHEMBL21965719 0.87 CTSC (0.56) CTSCCTSK
SCHEMBL21076177 0.87 CTSC (0.56) CTSCCTSK
SCHEMBL19155036 0.86 CTSC (0.57) CTSCCTSK
SCHEMBL19368351 0.86 CTSC (0.40) 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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