SCHEMBL16064365

SCHEMBL16064365

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@H](C#N)Cc1ccc(-c2csc(C=O)c2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.51
▸ CTSK P43235 14/20 0.51

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
SCHEMBL16064370 0.91 CTSC (0.64) CTSCCTSK
SCHEMBL16078741 0.91 CTSC (0.57) CTSCCTSK
SCHEMBL16075176 0.90 CTSC (0.64) CTSCCTSK
SCHEMBL16064386 0.90 CTSC (0.62) CTSCCTSK
SCHEMBL16064387 0.89 CTSC (0.64) CTSCCTSK
SCHEMBL22642857 0.89 CTSC (0.49) CTSCCTSK
SCHEMBL22643296 0.89 CTSC (0.51) CTSCCTSK
SCHEMBL16075177 0.89 CTSC (0.60) CTSCCTSK
SCHEMBL22643326 0.89 CTSC (0.49) CTSCCTSK
SCHEMBL16078740 0.89 CTSC (0.57) 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-2014140075-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 — — WO disclosed
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