SCHEMBL16064028

CN[S+]([O-])c1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3[C@@H]4C[C@@H]([C@H]5C[C@@H]45)N3C(=O)OC(C)(C)C)c(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	CTSC	P53634	20/20	0.50

▸	CTSK	P43235	17/20	0.50

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.

Compound	similarity	top predicted	shared targets
SCHEMBL21076292	0.89	CTSC (0.65)	CTSCCTSK
SCHEMBL16064046	0.89	CTSC (0.65)	CTSCCTSK
SCHEMBL16075198	0.88	CTSC (0.65)	CTSCCTSK
SCHEMBL16075195	0.88	CTSC (0.64)	CTSCCTSK
SCHEMBL16064116	0.87	CTSC (0.63)	CTSCCTSK
SCHEMBL16075191	0.87	CTSC (0.62)	CTSCCTSK
SCHEMBL16064299	0.87	CTSC (0.61)	CTSCCTSK
SCHEMBL16075192	0.86	CTSC (0.64)	CTSCCTSK
SCHEMBL16064102	0.85	CTSC (0.65)	CTSCCTSK
SCHEMBL16064466	0.84	CTSC (0.63)	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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2014140075-A1	SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C	BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE)	2014-09-18	—	—	WO	disclosed