SCHEMBL19155341

SCHEMBL19155341

CCc1ncc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3[C@H]4C[C@@H]([C@H]5C[C@@H]45)N3C(=O)OC(C)(C)C)c(F)c2)s1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.67
▸ CTSK P43235 15/20 0.67

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
SCHEMBL16064017 1.00 CTSC (0.67) CTSCCTSK
SCHEMBL16064244 0.92 CTSC (0.66) CTSCCTSK
SCHEMBL21965714 0.91 CTSC (0.59) CTSCCTSK
SCHEMBL21076191 0.91 CTSC (0.59) CTSCCTSK
SCHEMBL21076190 0.91 CTSC (0.59) CTSCCTSK
SCHEMBL22643101 0.91 CTSC (0.59) CTSCCTSK
SCHEMBL16064113 0.87 CTSC (0.64) CTSCCTSK
SCHEMBL16064466 0.87 CTSC (0.63) CTSCCTSK
SCHEMBL16064148 0.87 CTSC (0.65) CTSCCTSK
SCHEMBL16064412 0.86 CTSC (0.64) 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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