SCHEMBL12437414

COC(=O)N[C@H](C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C1=NC(c2ccc(-c3ncc(-c4c[nH]c([C@@H]5[C@H]6CC[C@H](C6)N5C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)n4)cn3)cc2)CN1)[C@@H](C)OC

nearest known ligand 0.30

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NR1I2	O75469	1/20	0.30

▸	ABCB11	O95342	1/20	0.30

▸	CYP3A4	P08684	1/20	0.30

▸	CYP2C9	P11712	1/20	0.30

▸	OPRK1	P41145	1/20	0.30

▸	KCNH2	Q12809	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
SCHEMBL12436396	0.78	CYP3A4 (0.32)	NR1I2ABCB11CYP3A4CYP2C9OPRK1
SCHEMBL12436929	0.78	CYP3A4 (0.35)	NR1I2ABCB11CYP3A4CYP2C9OPRK1
SCHEMBL17066336	0.78	CYP3A4 (0.44)	NR1I2ABCB11CYP3A4CYP2C9OPRK1
SCHEMBL17066300	0.77	CYP3A4 (0.45)	NR1I2ABCB11CYP3A4CYP2C9OPRK1
SCHEMBL12437632	0.76	CYP3A4 (0.35)	NR1I2ABCB11CYP3A4CYP2C9OPRK1
SCHEMBL12436388	0.75	CYP3A4 (0.37)	NR1I2ABCB11CYP3A4CYP2C9OPRK1
SCHEMBL17066342	0.75	CYP3A4 (0.42)	NR1I2ABCB11CYP3A4CYP2C9OPRK1
SCHEMBL17066339	0.74	CYP3A4 (0.43)	NR1I2ABCB11CYP3A4CYP2C9OPRK1
SCHEMBL15992705	0.74	CYP3A4 (0.55)	NR1I2ABCB11CYP3A4CYP2C9OPRK1
SCHEMBL889343	0.74	CYP3A4 (0.42)	NR1I2ABCB11CYP3A4CYP2C9OPRK1

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
WO-2011091532-A1	HEPATITIS C INHIBITOR COMPOUNDS	BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE)	2011-08-04	—	—	WO	disclosed