SCHEMBL16470979

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.57

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
SCHEMBL16470941	0.94	CYP3A4 (0.58)	CYP3A4
SCHEMBL8290294	0.92	CYP3A4 (0.68)	CYP3A4
SCHEMBL8285634	0.92	CYP3A4 (0.68)	CYP3A4
SCHEMBL16470928	0.90	CYP3A4 (0.60)	CYP3A4
SCHEMBL12773329	0.89	CYP3A4 (0.71)	CYP3A4
SCHEMBL18799499	0.89	CYP3A4 (0.71)	CYP3A4
SCHEMBL8290303	0.87	CYP3A4 (0.54)	CYP3A4
SCHEMBL8287299	0.86	CYP3A4 (0.79)	CYP3A4
SCHEMBL5969701	0.86	CYP3A4 (0.79)	CYP3A4
SCHEMBL16470987	0.85	CYP3A4 (0.70)	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
EP-1684787-B1	HEPATITIS C VIRUS INHIBITORS	BRISTOL MYERS SQUIBB CO (US)	2014-04-16	—	—	EP	disclosed