SCHEMBL8256041

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.69

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.63

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
SCHEMBL15308343	1.00	CYP3A4 (0.63)	CYP3A4
SCHEMBL12034360	1.00	CYP3A4 (0.63)	CYP3A4
SCHEMBL1536504	1.00	CYP3A4 (0.63)	CYP3A4
SCHEMBL8200320	1.00	CYP3A4 (0.63)	CYP3A4
SCHEMBL8349515	1.00	CYP3A4 (0.63)	CYP3A4
SCHEMBL1536446	0.94	—	—
SCHEMBL16380541	0.94	—	—
SCHEMBL12053856	0.94	—	—
SCHEMBL14013039	0.93	CYP3A4 (0.62)	CYP3A4
SCHEMBL3872790	0.93	CYP3A4 (0.62)	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-2006122188-A2	TRIPEPTIDES AS HEPATITIS C VIRUS INHIBITORS	BRISTOL-MYERS SQUIBB COMPANY (US)	2006-11-16	—	—	WO	disclosed