SCHEMBL10201514

COC(=O)N[C@H](C(=O)N1[C@@H]2CC2C[C@H]1c1nc2ccc(C#Cc3ccc(-c4c[nH]c([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)cc3)cc2[nH]1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	2/20	0.39

▸	CYP2C9	P11712	2/20	0.38

▸	KCNH2	Q12809	1/20	0.38

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
SCHEMBL12373803	1.00	CYP3A4 (0.39)	CYP3A4CYP2C9KCNH2
SCHEMBL12405044	0.92	CYP3A4 (0.43)	CYP3A4CYP2C9KCNH2
SCHEMBL19458449	0.92	CYP3A4 (0.38)	CYP3A4CYP2C9KCNH2
SCHEMBL14563253	0.92	CYP3A4 (0.38)	CYP3A4CYP2C9KCNH2
SCHEMBL19458447	0.92	CYP3A4 (0.38)	CYP3A4CYP2C9KCNH2
SCHEMBL14563254	0.92	CYP3A4 (0.38)	CYP3A4CYP2C9KCNH2
SCHEMBL19388781	0.91	CYP3A4 (0.40)	CYP3A4CYP2C9
SCHEMBL12373807	0.90	CYP3A4 (0.36)	CYP3A4
SCHEMBL12373805	0.89	CYP3A4 (0.41)	CYP3A4CYP2C9KCNH2
SCHEMBL16223455	0.88	CYP3A4 (0.40)	CYP3A4CYP2C9KCNH2

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-2012018325-A1	HEPATITIS C VIRUS INHIBITORS	BRISTOL-MYERS SQUIBB COMPANY (US)	2012-02-09	—	—	WO	disclosed