SCHEMBL693393

[CH2][C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@H](NC(=O)OC)c5ccccc5)[nH]4)cc3C)nc2)[nH]1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	3/20	0.52

▸	CYP3A4	P08684	9/20	0.52

▸	CYP2C9	P11712	8/20	0.52

▸	NR1I2	O75469	2/20	0.52

▸	ABCB11	O95342	1/20	0.52

▸	OPRK1	P41145	1/20	0.52

▸	CYP1A2	P05177	4/20	0.48

▸	CYP2D6	P10635	3/20	0.47

▸	OPRM1	P35372	2/20	0.43

▸	OPRD1	P41143	2/20	0.43

▸	PRCP	P42785	5/20	0.43

▸	CYP2C19	P33261	5/20	0.42

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
SCHEMBL13147779	0.96	CYP3A4 (0.56)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL10254658	0.96	CYP3A4 (0.56)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL2962562	0.94	KCNH2 (0.55)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL692628	0.92	CYP3A4 (0.59)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL691067	0.90	KCNH2 (0.57)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12174985	0.90	CYP3A4 (0.61)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL10252691	0.88	CYP3A4 (0.63)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL696624	0.87	KCNH2 (0.62)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL2961768	0.86	CYP3A4 (0.62)	KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL14322318	0.86	CYP3A4 (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