SCHEMBL22642824

SCHEMBL22642824

C[S+]([O-])c1cccc(-c2ccc(C[C@@H](C#N)NC(=O)C3C4CCC(C4)N3C(=O)OC(C)(C)C)c(F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.47
▸ CTSK P43235 19/20 0.47

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
SCHEMBL22643287 1.00 CTSC (0.47) CTSCCTSK
SCHEMBL16064456 0.94 CTSC (0.48) CTSCCTSK
SCHEMBL22643062 0.89 CTSC (0.49) CTSCCTSK
SCHEMBL16064024 0.88 CTSC (0.52) CTSCCTSK
SCHEMBL16064161 0.88 CTSC (0.47) CTSCCTSK
SCHEMBL16064485 0.88 CTSC (0.62) CTSCCTSK
SCHEMBL16064079 0.88 CTSC (0.61) CTSCCTSK
SCHEMBL16064543 0.88 CTSC (0.61) CTSCCTSK
SCHEMBL16064077 0.88 CTSC (0.62) CTSCCTSK
SCHEMBL22643186 0.88 CTSC (0.61) 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
Send feedback