SCHEMBL10201817

Cc1ccc(-c2ncc(-c3ccc4nc([C@@H]5CCCN5C(=O)Cc5ccccc5)[nH]c4c3)o2)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	1/20	0.39

▸	PRCP	P42785	4/20	0.38

▸	HCRTR1	O43613	10/20	0.37

▸	HCRTR2	O43614	10/20	0.37

▸	CYP1A2	P05177	1/20	0.36

▸	CYP3A4	P08684	1/20	0.36

▸	CYP2D6	P10635	1/20	0.36

▸	CYP2C9	P11712	1/20	0.36

▸	CYP2C19	P33261	1/20	0.36

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
SCHEMBL10202513	0.95	KCNH2 (0.46)	KCNH2PRCPHCRTR1HCRTR2CYP1A2
SCHEMBL10201814	0.95	PRCP (0.38)	KCNH2PRCPHCRTR1HCRTR2
SCHEMBL10201558	0.92	HCRTR1 (0.41)	HCRTR1HCRTR2
SCHEMBL12374131	0.90	KCNH2 (0.49)	KCNH2HCRTR1HCRTR2CYP1A2CYP3A4
SCHEMBL10202512	0.89	HCRTR1 (0.40)	PRCPHCRTR1HCRTR2
SCHEMBL12374143	0.89	PRCP (0.38)	KCNH2PRCPHCRTR1HCRTR2
SCHEMBL10202511	0.88	HCRTR1 (0.39)	HCRTR1HCRTR2
SCHEMBL10202423	0.88	HCRTR1 (0.43)	KCNH2PRCPHCRTR1HCRTR2CYP1A2
SCHEMBL2276767	0.87	KCNH2 (0.48)	KCNH2PRCPCYP1A2CYP3A4CYP2D6
SCHEMBL2278820	0.87	KCNH2 (0.48)	KCNH2PRCPCYP1A2CYP3A4CYP2D6

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-2012018325-A1	HEPATITIS C VIRUS INHIBITORS	BRISTOL-MYERS SQUIBB COMPANY (US)	2012-02-09	—	—	WO	disclosed