SCHEMBL22643315

SCHEMBL22643315

CN1CCCN(c2ccc(C[C@@H](C#N)NC(=O)C3C4CCC(C4)N3C(=O)OC(C)(C)C)c(F)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.64
▸ CTSK P43235 12/20 0.64

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
SCHEMBL16064284 1.00 CTSC (0.64) CTSCCTSK
SCHEMBL16064532 0.97 CTSC (0.62) CTSCCTSK
SCHEMBL16078800 0.94 CTSC (0.60) CTSCCTSK
SCHEMBL16064468 0.92 CTSC (0.65) CTSCCTSK
SCHEMBL16064494 0.92 CTSC (0.63) CTSCCTSK
SCHEMBL22642893 0.92 CTSC (0.56) CTSCCTSK
SCHEMBL22643232 0.92 CTSC (0.62) CTSCCTSK
SCHEMBL16064321 0.92 CTSC (0.56) CTSCCTSK
SCHEMBL16064193 0.92 CTSC (0.62) CTSCCTSK
SCHEMBL16064461 0.91 CTSC (0.65) 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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