SCHEMBL22643301

SCHEMBL22643301

Cn1cc(-c2ccc(C[C@@H](C#N)NC(=O)C3C4CCC(C4)N3C(=O)OC(C)(C)C)c(F)c2)ccc1=O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.63
▸ CTSK P43235 12/20 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
SCHEMBL16064428 1.00 CTSC (0.63) CTSCCTSK
SCHEMBL22643293 0.92 CTSC (0.64) CTSCCTSK
SCHEMBL16064138 0.92 CTSC (0.64) CTSCCTSK
SCHEMBL16064476 0.91 CTSC (0.63) CTSCCTSK
SCHEMBL22643241 0.90 CTSC (0.66) CTSCCTSK
SCHEMBL16064105 0.90 CTSC (0.66) CTSCCTSK
SCHEMBL16064454 0.89 CTSC (0.63) CTSCCTSK
SCHEMBL22642904 0.88 CTSC (0.49) CTSCCTSK
SCHEMBL16078802 0.88 CTSC (0.58) CTSCCTSK
SCHEMBL16078742 0.88 CTSC (0.52) 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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