SCHEMBL1037704

Cc1ccc(Oc2cccc(/C=C3\CCN(C(=O)Nc4cccnc4)CC3C)c2)cn1.Cc1cnc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C5CC5)nc4)c3)C(C)C2)cn1

nearest known ligand 0.45

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	4/20	0.45

▸	CYP2D6	P10635	4/20	0.45

▸	FAAH	O00519	17/20	0.42

▸	GABRA1	P14867	1/20	0.38

▸	ADRA2C	P18825	1/20	0.38

▸	CNR1	P21554	1/20	0.38

▸	HTR2A	P28223	1/20	0.38

▸	HTR2C	P28335	1/20	0.38

▸	CNR2	P34972	1/20	0.38

▸	HTR2B	P41595	1/20	0.38

▸	TMEM97	Q5BJF2	1/20	0.38

▸	SIGMAR1	Q99720	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
SCHEMBL1038612	0.93	CYP3A4 (0.51)	CYP3A4CYP2D6FAAH
SCHEMBL1038611	0.93	CYP3A4 (0.51)	CYP3A4CYP2D6FAAH
SCHEMBL1037537	0.93	CYP3A4 (0.41)	CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1037535	0.93	CYP3A4 (0.41)	CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1037423	0.90	CYP3A4 (0.52)	CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1037424	0.90	CYP3A4 (0.52)	CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1036401	0.90	CYP3A4 (0.53)	CYP3A4CYP2D6FAAH
SCHEMBL1036399	0.90	CYP3A4 (0.53)	CYP3A4CYP2D6FAAH
SCHEMBL1036393	0.88	CYP3A4 (0.47)	CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1036394	0.88	CYP3A4 (0.47)	CYP3A4CYP2D6FAAHGABRA1ADRA2C

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-2276737-A1	4- [3- (ARYLOXY) BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS	Pfizer Inc. (US)	2011-01-26	—	—	EP	disclosed