SCHEMBL3669265

Cc1cc(C2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)ccc1O.Cc1cc(O)ccc1C1(c2ccc(O)cc2)C(=O)Nc2c1ccc(F)c2F.O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)C1CCCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CNR1	P21554	1/20	0.39

▸	HTT	P42858	1/20	0.39

▸	GPR35	Q9HC97	1/20	0.39

▸	GPR55	Q9Y2T6	1/20	0.39

▸	MEN1	O00255	1/20	0.38

▸	LMNA	P02545	1/20	0.38

▸	MAPT	P10636	1/20	0.38

▸	XBP1	P17861	1/20	0.38

▸	KMT2A	Q03164	1/20	0.38

▸	NPSR1	Q6W5P4	1/20	0.38

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
SCHEMBL3089808	0.83	CNR1 (0.54)	CNR1HTTGPR35GPR55MEN1
SCHEMBL13145546	0.82	CNR1 (0.33)	CNR1HTTGPR35GPR55
SCHEMBL3084560	0.82	CNR1 (0.33)	CNR1HTTGPR35GPR55
SCHEMBL31003825	0.82	CNR1 (0.33)	CNR1HTTGPR35GPR55
SCHEMBL3082458	0.82	CNR1 (0.33)	CNR1HTTGPR35GPR55
SCHEMBL3072570	0.82	CNR1 (0.33)	CNR1HTTGPR35GPR55
SCHEMBL3088621	0.81	GPR55 (0.53)	CNR1HTTGPR35GPR55MEN1
SCHEMBL31003725	0.81	CNR1 (0.33)	CNR1HTTGPR35GPR55
SCHEMBL3088632	0.81	CNR1 (0.33)	CNR1HTTGPR35GPR55
SCHEMBL3089797	0.78	CNR1 (0.39)	CNR1HTTGPR35GPR55

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-2139856-A1	SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS	Topotarget A/S (DK)	2010-01-06	—	—	EP	disclosed
WO-2008129075-A1	SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS	TOPOTARGET A/S (DK)	2008-10-30	—	—	WO	disclosed