SCHEMBL696624

[CH2][C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2cnc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@H](NC(=O)OC)c5ccccc5)[nH]4)cc3)cn2)[nH]1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	3/20	0.62

▸	CYP3A4	P08684	5/20	0.59

▸	CYP2C9	P11712	3/20	0.59

▸	NR1I2	O75469	2/20	0.59

▸	ABCB11	O95342	1/20	0.59

▸	OPRK1	P41145	1/20	0.59

▸	CYP1A2	P05177	2/20	0.54

▸	CYP2D6	P10635	1/20	0.53

▸	PRCP	P42785	7/20	0.46

▸	OPRM1	P35372	2/20	0.43

▸	OPRD1	P41143	2/20	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
SCHEMBL28782935	0.95	KCNH2 (0.67)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12175030	0.95	KCNH2 (0.67)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL692628	0.95	CYP3A4 (0.59)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL693326	0.93	KCNH2 (0.59)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL691069	0.93	KCNH2 (0.65)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL696625	0.92	KCNH2 (0.65)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12174942	0.90	KCNH2 (0.63)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL10177209	0.90	CYP3A4 (0.71)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL690345	0.90	KCNH2 (0.67)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12175011	0.89	KCNH2 (0.62)	KCNH2CYP3A4CYP2C9NR1I2ABCB11

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-2049116-B1	HEPATITIS C VIRUS INHIBITORS	BRISTOL MYERS SQUIBB CO (US)	2012-02-29	—	—	EP	claimed