SCHEMBL22642805

SCHEMBL22642805

Cc1n[nH]cc1-c1ccc(CC(C#N)NC(=O)[C@@H]2C3CC[C@H](C3)N2C(=O)OC(C)(C)C)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.51
▸ CTSK P43235 16/20 0.49

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
SCHEMBL21076179 1.00 CTSC (0.51) CTSCCTSK
SCHEMBL16064429 1.00 CTSC (0.51) CTSCCTSK
SCHEMBL16064415 0.88 CTSC (0.64) CTSCCTSK
SCHEMBL16064042 0.88 CTSC (0.62) CTSCCTSK
SCHEMBL16064018 0.87 CTSC (0.50) CTSCCTSK
SCHEMBL16064291 0.87 CTSC (0.64) CTSCCTSK
SCHEMBL16064199 0.87 CTSC (0.64) CTSCCTSK
SCHEMBL16075185 0.87 CTSC (0.64) CTSCCTSK
SCHEMBL16075188 0.87 CTSC (0.63) CTSCCTSK
SCHEMBL16064332 0.86 CTSC (0.63) 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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