SCHEMBL22643032

SCHEMBL22643032

C=C(NC1CCOCC1)c1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cc1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.87
▸ CTSK P43235 15/20 0.87

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
SCHEMBL22643033 1.00 CTSC (0.87) CTSCCTSK
SCHEMBL16064257 0.93 CTSC (1.00) CTSCCTSK
SCHEMBL22643321 0.88 CTSC (0.87) CTSCCTSK
SCHEMBL22643318 0.88 CTSC (0.87) CTSCCTSK
SCHEMBL16064664 0.88 CTSC (0.86) CTSCCTSK
SCHEMBL22643298 0.88 CTSC (0.86) CTSCCTSK
SCHEMBL16064259 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL16064302 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL22643486 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL22643448 0.85 CTSC (1.00) 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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