SCHEMBL1646530

CC(C)[C@H](NC(=O)O)C(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(-c4ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)O)C(C)C)nc5c4)cc3)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	4/20	0.57

▸	CYP2C9	P11712	3/20	0.57

▸	PRCP	P42785	4/20	0.56

▸	NR1I2	O75469	1/20	0.54

▸	ABCB11	O95342	1/20	0.54

▸	OPRK1	P41145	1/20	0.54

▸	KCNH2	Q12809	1/20	0.54

▸	CYP1A2	P05177	1/20	0.49

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
SCHEMBL12098525	0.96	CYP3A4 (0.58)	CYP3A4CYP2C9PRCPNR1I2ABCB11
SCHEMBL16927279	0.92	CYP3A4 (0.63)	CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL1645386	0.92	CYP3A4 (0.51)	CYP3A4CYP2C9PRCPNR1I2ABCB11
SCHEMBL16927277	0.92	CYP3A4 (0.63)	CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL14914076	0.92	CYP3A4 (0.62)	CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL20484174	0.92	CYP3A4 (0.62)	CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL14914069	0.92	CYP3A4 (0.62)	CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12509590	0.91	CYP3A4 (0.56)	CYP3A4CYP2C9PRCPNR1I2ABCB11
SCHEMBL12509662	0.91	CYP3A4 (0.56)	CYP3A4CYP2C9PRCPNR1I2ABCB11
SCHEMBL12509591	0.91	CYP3A4 (0.56)	CYP3A4CYP2C9PRCPNR1I2ABCB11

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-2011050146-A1	CHEMICAL COMPOUNDS	GLAXOSMITHKLINE LLC (US)	2011-04-28	—	—	WO	disclosed