SCHEMBL16622357

SCHEMBL16622357

CC(C)C(=O)N1CCC(c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 18/20 0.61
▸ PREP P48147 1/20 0.41
▸ CTSK P43235 1/20 0.39

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
SCHEMBL16622376 0.92 CTSC (0.60) CTSCPREPCTSK
SCHEMBL16622359 0.92 CTSC (0.61) CTSCPREP
SCHEMBL14821868 0.91 CTSC (0.61) CTSCPREPCTSK
SCHEMBL15081651 0.91 CTSC (0.59) CTSCPREPCTSK
SCHEMBL16622348 0.90 CTSC (0.62) CTSCPREPCTSK
SCHEMBL14822166 0.90 CTSC (0.63) CTSCPREPCTSK
SCHEMBL16622358 0.89 CTSC (0.61) CTSCPREPCTSK
SCHEMBL15081668 0.89 CTSC (0.55) CTSCPREP
SCHEMBL15081690 0.89 CTSC (0.61) CTSCPREP
SCHEMBL16622334 0.89 CTSC (0.60) CTSCPREP

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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