SCHEMBL1746812

C[C@@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@]5(C(C)(C)C)CCCN5C(=O)O)[nH]4)cc3)cc2)[nH]1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	HPGDS	O60760	3/20	0.33

▸	SSTR3	P32745	4/20	0.32

▸	NR1I2	O75469	1/20	0.31

▸	ABCB11	O95342	1/20	0.31

▸	CYP3A4	P08684	1/20	0.31

▸	CYP2C9	P11712	1/20	0.31

▸	OPRK1	P41145	1/20	0.31

▸	KCNH2	Q12809	1/20	0.31

▸	AAK1	Q2M2I8	2/20	0.31

▸	OPRD1	P41143	1/20	0.31

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
SCHEMBL5025741	0.88	AAK1 (0.32)	CYP3A4CYP2C9AAK1
SCHEMBL689892	0.85	NR3C2 (0.36)	HPGDSSSTR3OPRD1
SCHEMBL12158445	0.80	AAK1 (0.41)	SSTR3AAK1OPRD1
SCHEMBL15848318	0.79	SSTR3 (0.39)	HPGDSSSTR3
SCHEMBL15848316	0.79	SSTR3 (0.39)	HPGDSSSTR3
SCHEMBL700049	0.77	AAK1 (0.31)	CYP3A4CYP2C9AAK1
SCHEMBL2957302	0.76	CYP3A4 (0.52)	HPGDSNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL15710882	0.76	AAK1 (0.39)	SSTR3AAK1OPRD1
SCHEMBL933804	0.75	SSTR3 (0.36)	HPGDSSSTR3
SCHEMBL12158426	0.75	AAK1 (0.38)	SSTR3AAK1OPRD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2049114-B1	HEPATITIS C VIRUS INHIBITORS	BRISTOL MYERS SQUIBB CO (US)	2014-10-01	—	—	EP	claimed
EP-2385048-A1	Hepatitis C virus inhibitors	Bristol-Myers Squibb Company (US)	2011-11-09	—	—	EP	disclosed
US-20110252687-A1	Canting Vertical Fore Grip with Bipod	GRIP POD SYSTEMS, LLC	2011-10-20	—	—	US	disclosed