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SCHEMBL16622333

SCHEMBL16622333

CCS(=O)(=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 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 19/20 0.60
▸ PREP P48147 1/20 0.40

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
SCHEMBL16622334 0.94 CTSC (0.60) CTSCPREP
SCHEMBL15081690 0.92 CTSC (0.61) CTSCPREP
SCHEMBL15081651 0.91 CTSC (0.59) CTSCPREP
SCHEMBL14821868 0.90 CTSC (0.61) CTSCPREP
SCHEMBL16622376 0.90 CTSC (0.60) CTSCPREP
SCHEMBL15081668 0.90 CTSC (0.55) CTSCPREP
SCHEMBL14822166 0.89 CTSC (0.63) CTSCPREP
SCHEMBL16622348 0.89 CTSC (0.62) CTSCPREP
SCHEMBL16622357 0.89 CTSC (0.61) CTSCPREP
SCHEMBL16622358 0.89 CTSC (0.61) 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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