SCHEMBL693275

[CH2][C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ncc(-c4cnc([C@@H]5CCCN5C(=O)Cc5cccnc5)[nH]4)cn3)cc2)[nH]1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	PRCP	P42785	10/20	0.49

▸	KCNH2	Q12809	2/20	0.47

▸	HPGDS	O60760	1/20	0.46

▸	OPRM1	P35372	2/20	0.43

▸	OPRD1	P41143	2/20	0.43

▸	CYP3A4	P08684	2/20	0.43

▸	CYP2C9	P11712	2/20	0.43

▸	NR1I2	O75469	1/20	0.43

▸	ABCB11	O95342	1/20	0.43

▸	OPRK1	P41145	1/20	0.43

▸	CYP1A2	P05177	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
SCHEMBL692367	1.00	PRCP (0.49)	PRCPKCNH2HPGDSOPRM1OPRD1
SCHEMBL692436	0.93	PRCP (0.49)	PRCPKCNH2OPRM1OPRD1CYP3A4
SCHEMBL692368	0.91	PRCP (0.51)	PRCPKCNH2HPGDSOPRM1OPRD1
SCHEMBL693276	0.91	PRCP (0.51)	PRCPKCNH2HPGDSOPRM1OPRD1
SCHEMBL3240920	0.89	KCNH2 (0.49)	PRCPKCNH2HPGDSOPRM1OPRD1
SCHEMBL3238733	0.89	KCNH2 (0.49)	PRCPKCNH2HPGDSOPRM1OPRD1
SCHEMBL690591	0.88	KCNH2 (0.53)	PRCPKCNH2HPGDSOPRM1OPRD1
SCHEMBL690905	0.88	KCNH2 (0.53)	PRCPKCNH2HPGDSOPRM1OPRD1
SCHEMBL2961147	0.88	KCNH2 (0.46)	PRCPKCNH2HPGDSOPRM1OPRD1
SCHEMBL2956271	0.88	KCNH2 (0.46)	PRCPKCNH2HPGDSOPRM1OPRD1

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