SCHEMBL22643306

SCHEMBL22643306

CC(C)(C)OC(=O)N1[C@@H]2CCC(C2)[C@H]1C(=O)NC(C#N)Cc1ccc(-c2ccc3c(c2)CNC3=O)cc1F

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.63
▸ CTSK P43235 15/20 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
SCHEMBL16064627 1.00 CTSC (0.63) CTSCCTSK
SCHEMBL16064278 0.95 CTSC (0.63) CTSCCTSK
SCHEMBL22643040 0.93 CTSC (0.64) CTSCCTSK
SCHEMBL16064539 0.93 CTSC (0.64) CTSCCTSK
SCHEMBL14821952 0.90 CTSC (0.61) CTSCCTSK
SCHEMBL16078784 0.88 CTSC (0.62) CTSCCTSK
SCHEMBL16064124 0.88 CTSC (0.62) CTSCCTSK
SCHEMBL22643311 0.88 CTSC (0.66) CTSCCTSK
SCHEMBL16064495 0.88 CTSC (0.66) CTSCCTSK
SCHEMBL16064432 0.88 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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