SCHEMBL690483

CN(C(=O)O)[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ncccc3-c3cnc([C@@H]4CCCN4C(=O)Cc4cccnc4)[nH]3)cc2)[nH]1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	2/20	0.51

▸	PRCP	P42785	11/20	0.48

▸	CYP3A4	P08684	2/20	0.42

▸	CYP2C9	P11712	2/20	0.42

▸	NR1I2	O75469	1/20	0.42

▸	ABCB11	O95342	1/20	0.42

▸	OPRK1	P41145	1/20	0.42

▸	CYP1A2	P05177	1/20	0.42

▸	OPRM1	P35372	2/20	0.41

▸	OPRD1	P41143	2/20	0.41

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
SCHEMBL1747036	0.93	KCNH2 (0.58)	KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL690862	0.90	KCNH2 (0.53)	KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL690591	0.90	KCNH2 (0.53)	KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL690905	0.90	KCNH2 (0.53)	KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL690370	0.89	PRCP (0.52)	KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL2591062	0.88	KCNH2 (0.59)	KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL15673813	0.88	KCNH2 (0.59)	KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL690843	0.87	KCNH2 (0.62)	KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL1745497	0.86	KCNH2 (0.59)	KCNH2PRCPCYP3A4CYP2C9NR1I2
SCHEMBL1746942	0.83	PRCP (0.64)	KCNH2PRCPCYP3A4CYP2C9NR1I2

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