SCHEMBL16064922

SCHEMBL16064922

C[C@@H]1CCC(C)(C(=O)N[C@H](C#N)Cc2ccc(-c3ccc4c(c3)N(C)C(=O)C4)cc2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.60
▸ CTSK P43235 3/20 0.60

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
SCHEMBL21013533 0.85 CTSC (0.63) CTSCCTSK
SCHEMBL16064927 0.85 CTSC (0.63) CTSCCTSK
SCHEMBL21013919 0.85 CTSC (0.63) CTSCCTSK
SCHEMBL16092830 0.85 CTSC (0.63) CTSCCTSK
SCHEMBL16064936 0.84 CTSC (0.64) CTSCCTSK
SCHEMBL16064923 0.82 CTSC (0.66) CTSCCTSK
SCHEMBL16064952 0.81 CTSC (0.65) CTSCCTSK
SCHEMBL16092831 0.81 CTSC (0.66) CTSCCTSK
SCHEMBL15083917 0.80 CTSC (0.60) CTSCCTSK
SCHEMBL16071356 0.78 CTSC (0.64) 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
WO-2014140081-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 — — WO disclosed
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