SCHEMBL1032935

SCHEMBL1032935

Cc1cccc(C=C2CCN(C(=O)Nc3cccnn3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 13/20 0.59
CYP3A4 P08684 4/20 0.59
CYP2D6 P10635 4/20 0.59
GABRA1 P14867 1/20 0.59
ADRA2C P18825 1/20 0.59
CNR1 P21554 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
CNR2 P34972 1/20 0.59
HTR2B P41595 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.42
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
BACE1 P56817 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
SCHEMBL1038437 0.89 FAAH (0.62) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1039385 0.86 FAAH (0.66) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1011114 0.85 FAAH (0.69) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1033666 0.85 FAAH (0.45) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1033668 0.85 FAAH (0.45) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1963012 0.85 FAAH (0.64) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1011937 0.84 FAAH (0.68) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1009629 0.83 FAAH (0.70) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1036843 0.83 FAAH (0.64) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1010929 0.83 FAAH (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276734-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed