SCHEMBL22642777

C[C@H]1[C@H]2[C@H]3C[C@@H]([C@@H]12)N(C(=O)OC(C)(C)C)[C@@H]3C(=O)N[C@H](C#N)Cc1ccc(-c2ccc3oc(=O)n(C)c3c2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	CTSC	P53634	20/20	0.60

▸	CTSK	P43235	11/20	0.52

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
SCHEMBL19155285	0.94	CTSC (0.61)	CTSCCTSK
SCHEMBL16064241	0.92	CTSC (0.68)	CTSCCTSK
SCHEMBL21076185	0.92	CTSC (0.68)	CTSCCTSK
SCHEMBL21076282	0.86	CTSC (0.59)	CTSCCTSK
SCHEMBL21076281	0.86	CTSC (0.59)	CTSCCTSK
SCHEMBL31536747	0.85	CTSC (0.60)	CTSCCTSK
SCHEMBL31536744	0.85	CTSC (0.60)	CTSCCTSK
SCHEMBL31536758	0.85	CTSC (0.60)	CTSCCTSK
SCHEMBL21966266	0.85	CTSC (0.54)	CTSCCTSK
SCHEMBL21076206	0.84	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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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