SCHEMBL4597664

CC(C(=O)N1CCC(Nc2cccc(F)c2)CC1)c1ccc(CN2C[C@@H](C)N[C@@H](C)C2)cc1.C[C@@H]1CN(Cc2ccc(C(C)(C)C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@H](C)N1

nearest known ligand 0.82

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	MLNR	O43193	20/20	0.82

▸	CYP3A4	P08684	10/20	0.76

▸	CYP2D6	P10635	3/20	0.55

▸	GHSR	Q92847	2/20	0.55

▸	CYP1A2	P05177	1/20	0.55

▸	KCNH2	Q12809	1/20	0.53

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
SCHEMBL1704176	0.90	MLNR (1.00)	MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL1704464	0.90	MLNR (1.00)	MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL1704135	0.87	MLNR (1.00)	MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL1704589	0.87	MLNR (1.00)	MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL4185918	0.78	MLNR (0.77)	MLNRCYP3A4CYP2D6GHSR
SCHEMBL14618440	0.78	MLNR (0.80)	MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL1704684	0.77	MLNR (0.71)	MLNRCYP3A4CYP2D6GHSR
SCHEMBL4597013	0.77	MLNR (0.79)	MLNRCYP3A4CYP2D6GHSRKCNH2
SCHEMBL4175700	0.77	MLNR (0.79)	MLNRCYP3A4CYP2D6GHSRKCNH2
SCHEMBL377500	0.76	MLNR (0.73)	MLNRCYP3A4CYP2D6GHSRCYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1907374-A2	COMPOUNDS	GLAXO GROUP LIMITED (GB)	2008-04-09	—	—	EP	claimed
WO-2007012479-A2	BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE	GLAXO GROUP LIMITED (GB)	2007-02-01	—	—	WO	claimed