SCHEMBL1038522

SCHEMBL1038522

CC1CN(C(=O)Nc2onc3ccccc23)CCC1=Cc1cccc(Oc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 17/20 0.55
CYP3A4 P08684 4/20 0.55
CYP2D6 P10635 4/20 0.55
GABRA1 P14867 1/20 0.55
ADRA2C P18825 1/20 0.55
CNR1 P21554 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
CNR2 P34972 1/20 0.55
HTR2B P41595 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
SIGMAR1 Q99720 1/20 0.55

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1034989 0.89 CYP3A4 (0.57) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1034987 0.89 CYP3A4 (0.57) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1011615 0.88 FAAH (0.68) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1034580 0.88 FAAH (0.55) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1034579 0.88 FAAH (0.55) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1035577 0.85 CYP3A4 (0.57) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1035576 0.85 CYP3A4 (0.57) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1032127 0.85 CYP3A4 (0.58) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1032126 0.85 CYP3A4 (0.58) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1037745 0.85 CYP3A4 (0.64) FAAHCYP3A4CYP2D6GABRA1ADRA2C

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276737-A1 4- [3- (ARYLOXY) BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP claimed
WO-2009127949-A1 4- [3- (ARYLOXY) BENZYLIDENE] -3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO claimed