SCHEMBL22643263

SCHEMBL22643263

CN1CCN(Sc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C4C5CCC(C5)N4C(=O)OC(C)(C)C)c(F)c3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.51
▸ CTSK P43235 10/20 0.51

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
SCHEMBL22643308 0.97 CTSC (0.51) CTSCCTSK
SCHEMBL22642841 0.90 CTSC (0.49) CTSCCTSK
SCHEMBL22643312 0.90 CTSC (0.49) CTSCCTSK
SCHEMBL16064530 0.89 CTSC (0.65) CTSCCTSK
SCHEMBL16064134 0.89 CTSC (0.65) CTSCCTSK
SCHEMBL16064094 0.88 CTSC (0.63) CTSCCTSK
SCHEMBL22642904 0.87 CTSC (0.49) CTSCCTSK
SCHEMBL22643304 0.87 CTSC (0.66) CTSCCTSK
SCHEMBL16064051 0.87 CTSC (0.66) CTSCCTSK
SCHEMBL16078742 0.87 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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