SCHEMBL22643264

SCHEMBL22643264

COCCn1cc(-c2ccc([C@@H](C)[C@@H](C#N)NC(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)c(F)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 17/20 0.50
▸ CTSK P43235 15/20 0.50
▸ USP30 Q70CQ3 1/20 0.44
▸ KIT P10721 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL22643212 0.87 CTSC (0.46) CTSCCTSK
SCHEMBL16064329 0.87 CTSC (0.67) CTSCCTSK
SCHEMBL16064129 0.87 CTSC (0.67) CTSCCTSK
SCHEMBL22643210 0.86 CTSC (0.49) CTSCCTSK
SCHEMBL22642788 0.86 CTSC (0.43) CTSCCTSKUSP30
SCHEMBL22643221 0.84 CTSC (0.48) CTSCCTSK
SCHEMBL22643200 0.80 CTSC (0.58) CTSCCTSK
SCHEMBL16075181 0.80 CTSC (0.65) CTSCCTSK
SCHEMBL16075182 0.79 CTSC (0.65) CTSCCTSK
SCHEMBL16064327 0.79 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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