SCHEMBL9912084

COC(=O)N[C@@H](C(=O)N1CCC[C@@H]1c1ncc(C#Cc2ccc3cc(-c4cnc([C@H]5CCCN5C(=O)[C@H](NC(=O)OC)C(C)C)[nH]4)ccc3c2)[nH]1)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	7/20	0.71

▸	CYP2C9	P11712	6/20	0.71

▸	KCNH2	Q12809	3/20	0.71

▸	NR1I2	O75469	2/20	0.71

▸	ABCB11	O95342	1/20	0.71

▸	OPRK1	P41145	1/20	0.71

▸	CYP1A2	P05177	3/20	0.65

▸	CYP2D6	P10635	2/20	0.64

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
SCHEMBL2706519	1.00	CYP3A4 (0.71)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL203131	1.00	CYP3A4 (0.71)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL16181001	1.00	CYP3A4 (0.71)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15397736	0.97	CYP3A4 (0.68)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL17656268	0.96	CYP3A4 (0.66)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15260824	0.96	CYP3A4 (0.69)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15274648	0.96	CYP3A4 (0.69)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL17948045	0.94	CYP3A4 (0.63)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL10146146	0.94	CYP3A4 (0.65)	CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19388525	0.94	CYP3A4 (0.65)	CYP3A4CYP2C9KCNH2NR1I2ABCB11

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-2012074437-A2	SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF	АЛЛА ХЕМ, ЛЛС (US)	2012-06-07	—	—	WO	disclosed