SCHEMBL22642786

SCHEMBL22642786

CC(=O)c1ccc(-c2ccc(CC(C#N)NC(=O)C3C4CC[C@H](C4)N3C(=S)OC(C)(C)C)c(F)c2)s1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.63
▸ CTSK P43235 14/20 0.63

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
SCHEMBL16075183 0.94 CTSC (0.63) CTSCCTSK
SCHEMBL16064048 0.88 CTSC (0.62) CTSCCTSK
SCHEMBL16064562 0.88 CTSC (0.63) CTSCCTSK
SCHEMBL16064053 0.86 CTSC (0.66) CTSCCTSK
SCHEMBL16064041 0.84 CTSC (0.62) CTSCCTSK
SCHEMBL16078790 0.81 CTSC (0.63) CTSCCTSK
SCHEMBL16065207 0.81 CTSC (0.59) CTSCCTSK
SCHEMBL18828564 0.81 CTSC (0.59) CTSCCTSK
SCHEMBL16075179 0.81 CTSC (0.61) CTSCCTSK
SCHEMBL19368380 0.81 CTSC (0.61) 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-2970283-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-11-11 — — EP disclosed
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