SCHEMBL692102

COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ncc(-n4ccnc4[C@@H]4CCCN4C(=O)[C@H](C(C)C)N(C)C(=O)O)cn3)cc2)[nH]1)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	7/20	0.65

▸	CYP2C9	P11712	6/20	0.65

▸	KCNH2	Q12809	3/20	0.65

▸	NR1I2	O75469	2/20	0.65

▸	ABCB11	O95342	1/20	0.65

▸	OPRK1	P41145	1/20	0.65

▸	CYP1A2	P05177	3/20	0.60

▸	CYP2D6	P10635	2/20	0.59

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
SCHEMBL690911	0.91	CYP3A4 (0.74)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3560459	0.91	CYP3A4 (0.74)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1745857	0.89	CYP3A4 (0.82)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1745819	0.89	CYP3A4 (0.82)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1745853	0.89	CYP3A4 (0.82)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1745718	0.89	CYP3A4 (0.82)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1745931	0.89	CYP3A4 (0.82)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1745715	0.89	CYP3A4 (0.82)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1745824	0.89	CYP3A4 (0.82)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL1746070	0.89	CYP3A4 (0.82)	CYP3A4CYP2C9KCNH2NR1I2ABCB11

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