SCHEMBL19155233

SCHEMBL19155233

CCS(=O)(=O)c1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@H]4C[C@H]3[C@H](C)[C@@H]4C)c(F)c2)cc1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.85
▸ CTSK P43235 19/20 0.85

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
SCHEMBL19155347 0.93 CTSC (0.85) CTSCCTSK
SCHEMBL21076311 0.92 CTSC (0.82) CTSCCTSK
SCHEMBL21076310 0.92 CTSC (0.82) CTSCCTSK
SCHEMBL19155423 0.92 CTSC (0.83) CTSCCTSK
SCHEMBL20840857 0.92 CTSC (1.00) CTSCCTSK
SCHEMBL16075234 0.92 CTSC (1.00) CTSCCTSK
SCHEMBL19155264 0.91 CTSC (0.85) CTSCCTSK
SCHEMBL19155103 0.89 CTSC (0.85) CTSCCTSK
SCHEMBL19155155 0.88 CTSC (0.84) CTSCCTSK
SCHEMBL22643025 0.88 CTSC (0.73) 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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