SCHEMBL1747489

CN(C)[C@@H](C(=O)N1CCC[C@]1(I)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)c5csc(-c6ccccc6)n5)[nH]4)cc3)cc2)[nH]1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	1/20	0.45

▸	PRCP	P42785	10/20	0.44

▸	HCRTR1	O43613	1/20	0.40

▸	HCRTR2	O43614	1/20	0.40

▸	OPRM1	P35372	1/20	0.39

▸	OPRD1	P41143	1/20	0.39

▸	CYP1A2	P05177	1/20	0.39

▸	CYP3A4	P08684	1/20	0.39

▸	CYP2C9	P11712	1/20	0.39

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
SCHEMBL15673840	0.89	KCNH2 (0.55)	KCNH2PRCPHCRTR1HCRTR2OPRM1
SCHEMBL2589715	0.89	KCNH2 (0.55)	KCNH2PRCPHCRTR1HCRTR2OPRM1
SCHEMBL1745223	0.83	KCNH2 (0.53)	KCNH2PRCPHCRTR1HCRTR2OPRM1
SCHEMBL1745511	0.82	KCNH2 (0.45)	KCNH2PRCPHCRTR1HCRTR2OPRM1
SCHEMBL3344250	0.78	PRCP (0.49)	KCNH2PRCPHCRTR1HCRTR2OPRM1
SCHEMBL1747529	0.77	KCNH2 (0.57)	KCNH2PRCPHCRTR1HCRTR2OPRM1
SCHEMBL15673908	0.77	KCNH2 (0.57)	KCNH2PRCPHCRTR1HCRTR2OPRM1
SCHEMBL14297636	0.77	KCNH2 (0.67)	KCNH2PRCPHCRTR1HCRTR2OPRM1
SCHEMBL3419455	0.77	KCNH2 (0.67)	KCNH2PRCPHCRTR1HCRTR2OPRM1
SCHEMBL1746751	0.77	KCNH2 (0.67)	KCNH2PRCPHCRTR1HCRTR2OPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2385048-A1	Hepatitis C virus inhibitors	Bristol-Myers Squibb Company (US)	2011-11-09	—	—	EP	disclosed
US-20110252687-A1	Canting Vertical Fore Grip with Bipod	GRIP POD SYSTEMS, LLC	2011-10-20	—	—	US	disclosed