SCHEMBL16622344

SCHEMBL16622344

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@H](C#N)Cc1ccc(-n2cc(C3CC3)nn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.61
▸ CTSK P43235 1/20 0.48

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
SCHEMBL14821941 0.90 CTSC (0.62) CTSCCTSK
SCHEMBL15081686 0.89 CTSC (0.63) CTSCCTSK
SCHEMBL16622380 0.88 CTSC (0.55) CTSCCTSK
SCHEMBL14821863 0.87 CTSC (0.66) CTSCCTSK
SCHEMBL15084123 0.87 CTSC (0.57) CTSCCTSK
SCHEMBL14821937 0.87 CTSC (0.67) CTSCCTSK
SCHEMBL15081683 0.87 CTSC (0.56) CTSCCTSK
SCHEMBL14821864 0.87 CTSC (0.64) CTSCCTSK
SCHEMBL14821862 0.86 CTSC (0.67) CTSCCTSK
SCHEMBL14821940 0.86 CTSC (0.67) CTSC

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-8999975-B2 Substituted N- [1-cyano-2- (phenyl) ethyl] -2-azabicyclo [2.2.1] heptane-3-carboxamide inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 — — US disclosed
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