SCHEMBL12436941

CC[C@H](NC(=O)OC)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc(C2=CC=C(c3ccc(-c4c[nH]c([C@@H]5[C@H]6CC[C@H](C6)N5C(=O)[C@H](CC)NC(=O)OC)n4)cc3)CC2)c[nH]1

nearest known ligand 0.30

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	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
SCHEMBL12437654	0.93	CYP3A4 (0.34)	CYP3A4
SCHEMBL12436929	0.86	CYP3A4 (0.35)	CYP3A4
SCHEMBL12436388	0.81	CYP3A4 (0.37)	CYP3A4
SCHEMBL17066336	0.81	CYP3A4 (0.44)	CYP3A4
SCHEMBL17066300	0.80	CYP3A4 (0.45)	CYP3A4
SCHEMBL12437632	0.79	CYP3A4 (0.35)	CYP3A4
SCHEMBL17066342	0.78	CYP3A4 (0.42)	CYP3A4
SCHEMBL12436931	0.78	KCNH2 (0.43)	CYP3A4
SCHEMBL17066339	0.77	CYP3A4 (0.43)	CYP3A4
SCHEMBL889343	0.76	CYP3A4 (0.42)	CYP3A4

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