SCHEMBL13071007

C=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CCc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)cc2)cc1)C(C)C)OC

nearest known ligand 0.59

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	2/20	0.53

▸	CYP2C9	P11712	8/20	0.47

▸	CYP3A4	P08684	7/20	0.47

▸	CYP2C19	P33261	6/20	0.47

▸	CYP1A2	P05177	3/20	0.47

▸	CYP2D6	P10635	2/20	0.47

▸	ELANE	P08246	6/20	0.47

▸	CMA1	P23946	2/20	0.46

▸	NR1I2	O75469	1/20	0.43

▸	ABCB11	O95342	1/20	0.43

▸	OPRK1	P41145	1/20	0.43

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
SCHEMBL18462724	0.94	KCNH2 (0.58)	KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL204846	0.94	KCNH2 (0.58)	KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL2707393	0.94	KCNH2 (0.58)	KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL13125139	0.86	KCNH2 (0.58)	KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL17490819	0.85	KCNH2 (0.70)	KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL18648212	0.85	KCNH2 (0.70)	KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL17490823	0.85	KCNH2 (0.70)	KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL751369	0.85	KCNH2 (0.49)	KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL15127355	0.85	KCNH2 (0.60)	KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL12599560	0.84	KCNH2 (0.54)	KCNH2CYP2C9CYP3A4CYP2C19CYP1A2

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-2010132601-A1	ANTIVIRAL COMPOUNDS	GILEAD SCIENCES, INC. (US)	2010-11-18	—	—	WO	disclosed