SCHEMBL19155283

SCHEMBL19155283

C[C@@H]1[C@H](C)[C@@H]2C[C@@H]1[C@@H](C(=O)N[C@H](C#N)Cc1ccc(-c3ccc4cn(C)nc4c3)cc1F)N2

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.86
▸ CTSK P43235 14/20 0.64

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
SCHEMBL21076230 0.93 CTSC (0.84) CTSCCTSK
SCHEMBL21076229 0.93 CTSC (0.84) CTSCCTSK
SCHEMBL20840858 0.92 CTSC (1.00) CTSCCTSK
SCHEMBL16064714 0.92 CTSC (1.00) CTSCCTSK
SCHEMBL22643475 0.89 CTSC (0.68) CTSCCTSK
SCHEMBL19155364 0.86 CTSC (0.86) CTSCCTSK
SCHEMBL16641672 0.84 CTSC (0.84) CTSCCTSK
SCHEMBL19155013 0.84 CTSC (0.86) CTSCCTSK
SCHEMBL19368421 0.83 CTSC (0.82) CTSCCTSK
SCHEMBL19155269 0.83 CTSC (0.82) 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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