SCHEMBL16223459

COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc2ccc3cc(C#Cc4ccc(-c5c[nH]c([C@@H]6C[C@H]7C[C@H]7N6C(=O)[C@H](C(C)C)N(C)C(=O)O)n5)cc4)ccc3c2[nH]1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	4/20	0.33

▸	CYP2C9	P11712	4/20	0.32

▸	KCNH2	Q12809	2/20	0.31

▸	CYP1A2	P05177	1/20	0.30

▸	CYP2D6	P10635	1/20	0.30

▸	NR1I2	O75469	1/20	0.30

▸	ABCB11	O95342	1/20	0.30

▸	OPRK1	P41145	1/20	0.30

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
SCHEMBL1479032	1.00	CYP3A4 (0.33)	CYP3A4CYP2C9KCNH2CYP1A2CYP2D6
SCHEMBL1478632	0.93	CYP3A4 (0.33)	CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL16223728	0.92	CYP3A4 (0.36)	CYP3A4CYP2C9KCNH2CYP1A2CYP2D6
SCHEMBL16223726	0.92	CYP3A4 (0.36)	CYP3A4CYP2C9KCNH2CYP1A2CYP2D6
SCHEMBL3052013	0.90	CYP3A4 (0.35)	CYP3A4CYP2C9KCNH2CYP1A2CYP2D6
SCHEMBL3052020	0.90	CYP3A4 (0.35)	CYP3A4CYP2C9KCNH2CYP1A2CYP2D6
SCHEMBL1481097	0.90	CYP3A4 (0.37)	CYP3A4CYP2C9KCNH2CYP1A2CYP2D6
SCHEMBL1478399	0.90	CYP3A4 (0.37)	CYP3A4CYP2C9KCNH2CYP1A2CYP2D6
SCHEMBL1478394	0.90	CYP3A4 (0.37)	CYP3A4CYP2C9KCNH2CYP1A2CYP2D6
SCHEMBL1481094	0.90	CYP3A4 (0.37)	CYP3A4CYP2C9KCNH2CYP1A2CYP2D6

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-2414350-B1	HEPATITIS C VIRUS INHIBITORS	BRISTOL MYERS SQUIBB CO (US)	2014-11-12	—	—	EP	claimed