SCHEMBL1786817

O=C([O-])CN(CC(=O)[O-])Cc1cccc(-c2cc(-c3ccc(N=C=S)cc3)cc(-c3cccc(CN(CC(=O)[O-])CC(=O)[O-])n3)n2)n1.O=C([O-])CN(CC(=O)[O-])Cc1cccc(-c2cc(-c3ccc(N=C=S)cc3)cc(-c3cccc(CN(CC(=O)[O-])CC(=O)[O-])n3)n2)n1.O=C([O-])CN(CC(=O)[O-])Cc1cccc(-c2cc(-c3ccc(N=C=S)cc3)cc(-c3cccc(CN(CC(=O)[O-])CC(=O)[O-])n3)n2)n1.[Eu+3].[Eu+3].[Eu+3].[Eu+3]

nearest known ligand 0.34

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	CNR1	P21554	1/20	0.34

▸	HSD17B10	Q99714	1/20	0.30

▸	SCN9A	Q15858	1/20	0.30

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
SCHEMBL18112561	0.83	CYP19A1 (0.36)	—
SCHEMBL1784625	0.82	LTB4R (0.35)	HSD17B10SCN9A
SCHEMBL18112512	0.81	CYP19A1 (0.35)	—
SCHEMBL9356167	0.78	P2RY6 (0.44)	HSD17B10
SCHEMBL1782379	0.76	ALDH1A1 (0.33)	HSD17B10
SCHEMBL9391451	0.75	GYS1 (0.36)	—
SCHEMBL7199262	0.75	TXN (0.39)	—
SCHEMBL9356539	0.74	HSD17B10 (0.34)	CNR1HSD17B10
SCHEMBL13997749	0.74	LTB4R (0.39)	—
SCHEMBL890271	0.73	HSD17B10 (0.34)	HSD17B10

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20110117571-A1	Transporter assay	WALLAC OY (FI)	2011-05-19	—	—	US	disclosed
EP-2215479-A1	TRANSPORTER ASSAY	Wallac OY (FI)	2010-08-11	—	—	EP	disclosed
WO-2009068751-A1	TRANSPORTER ASSAY	WALLAC OY (FI)	2009-06-04	—	—	WO	disclosed