SCHEMBL22643476

SCHEMBL22643476

CC1C2C3CC(C(C(=O)N[C@H](C#N)Cc4ccc(-c5ccc6c(c5)CNC6=O)cc4F)N3)C12

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.82
▸ CTSK P43235 18/20 0.82

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
SCHEMBL21076343 1.00 CTSC (0.82) CTSCCTSK
SCHEMBL21076342 1.00 CTSC (0.82) CTSCCTSK
SCHEMBL21076345 0.93 CTSC (0.82) CTSCCTSK
SCHEMBL22643464 0.93 CTSC (0.82) CTSCCTSK
SCHEMBL21076344 0.93 CTSC (0.82) CTSCCTSK
SCHEMBL21965826 0.93 CTSC (0.82) CTSCCTSK
SCHEMBL19155111 0.92 CTSC (0.84) CTSCCTSK
SCHEMBL16064608 0.90 CTSC (1.00) CTSCCTSK
SCHEMBL22643480 0.89 CTSC (0.64) CTSCCTSK
SCHEMBL21076228 0.88 CTSC (0.84) 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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