SCHEMBL5248665

COc1ccc(-c2cc3c(NC(=O)CCC(=O)Nc4c(C(=O)C(C)(C)O)oc5nc(-c6ccccc6Cl)c(-c6ccc(OC)cc6)cc45)c(C(=O)C(C)(C)C)oc3nc2-c2ccccc2Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CNR1	P21554	18/20	0.72

▸	CNR2	P34972	16/20	0.72

▸	GABRA1	P14867	2/20	0.72

▸	GABRB1	P18505	2/20	0.72

▸	GABRA5	P31644	2/20	0.72

▸	GABRA3	P34903	2/20	0.72

▸	GABRA2	P47869	2/20	0.72

▸	GABRB2	P47870	2/20	0.72

▸	GABRA4	P48169	2/20	0.72

▸	GABRA6	Q16445	2/20	0.72

▸	KCNH2	Q12809	1/20	0.72

▸	KDR	P35968	1/20	0.40

▸	HSP90AA1	P07900	1/20	0.37

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
SCHEMBL5248660	0.92	CNR1 (0.80)	CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1629620	0.89	CNR1 (0.84)	CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1627747	0.88	CNR1 (0.83)	CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628760	0.86	CNR1 (0.87)	CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5249755	0.85	CNR1 (0.84)	CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5249262	0.85	CNR1 (0.85)	CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628614	0.85	CNR1 (0.84)	CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628047	0.84	CNR1 (1.00)	CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5248743	0.84	CNR1 (0.83)	CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1629988	0.84	CNR1 (0.84)	CNR1CNR2GABRA1GABRB1GABRA5

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
EP-1558252-B1	SUBSTITUTED FURO [2,3-B]PYRIDINE DERIVATIVES	MERCK & CO INC (US)	2007-10-10	—	—	EP	claimed