SCHEMBL18828566

SCHEMBL18828566

CC(C)(C)OC(=O)N1C2CCC(C2)C1C(=O)N[C@H](C#N)Cc1ccc(-c2cccc(S(C)(=O)=O)c2)s1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.63
▸ CTSK P43235 6/20 0.46

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
SCHEMBL16065323 1.00 CTSC (0.63) CTSCCTSK
SCHEMBL16065347 0.94 CTSC (0.61) CTSCCTSK
SCHEMBL15081620 0.88 CTSC (0.61) CTSCCTSK
SCHEMBL16064485 0.87 CTSC (0.62) CTSCCTSK
SCHEMBL16064077 0.87 CTSC (0.62) CTSCCTSK
SCHEMBL16065134 0.85 CTSC (0.57) CTSCCTSK
SCHEMBL16065348 0.84 CTSC (0.63) CTSCCTSK
SCHEMBL18828592 0.84 CTSC (0.63) CTSCCTSK
SCHEMBL16065011 0.84 CTSC (0.62) CTSCCTSK
SCHEMBL16071001 0.83 CTSC (0.62) 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
EP-2970228-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-05-10 — — EP disclosed
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