SCHEMBL1037574

SCHEMBL1037574

O=C(Nc1cccnc1)N1CCC(=Cc2cccc(OCC3CCCCO3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.57
CYP2D6 P10635 4/20 0.57
FAAH O00519 10/20 0.43
GABRA1 P14867 1/20 0.43
ADRA2C P18825 1/20 0.43
CNR1 P21554 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CNR2 P34972 1/20 0.43
HTR2B P41595 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HCRTR1 O43613 1/20 0.42
BTK Q06187 2/20 0.41
EPHX2 P34913 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4384599 0.90 CYP3A4 (0.58) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1039932 0.89 CYP3A4 (0.62) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1039557 0.87 CYP3A4 (0.53) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1040115 0.87 FAAH (0.56) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1036113 0.85 FAAH (0.58) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1036643 0.83 CYP3A4 (0.62) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1040265 0.82 CYP3A4 (0.47) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1077445 0.82 CYP3A4 (0.67) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1038006 0.82 SMN1; SMN2 (0.42) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1960779 0.82 CYP3A4 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276735-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed
WO-2009127944-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO disclosed