SCHEMBL14536726

SCHEMBL14536726

CCCCOc1c(C(=O)NCc2ccc(F)cc2)c[n+](OC)c(C)c1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.53
FAAH O00519 2/20 0.48
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE10A Q9Y233 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
CNR1 P21554 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
SCHEMBL14138215 0.89 CNR2 (0.52) CNR2FAAHHPGDGAAMAPT
SCHEMBL12697368 0.82 FAAH (0.61) CNR2FAAHHPGDGAAMAPT
SCHEMBL8981479 0.81 CNR2 (0.55) CNR2FAAHHPGDGAAMAPT
SCHEMBL12697309 0.79 FAAH (0.57) CNR2FAAHHPGDGAAMAPT
SCHEMBL8981503 0.78 CNR2 (0.54) CNR2FAAHHPGDGAAMAPT
SCHEMBL13805556 0.78 CNR2 (0.53) CNR2FAAHHPGDGAAMAPT
SCHEMBL8981509 0.78 CNR2 (0.53) CNR2FAAHHPGDGAAMAPT
SCHEMBL12697379 0.78 CNR2 (0.65) CNR2FAAHHPGDMAPTHTT
SCHEMBL13805554 0.77 CNR2 (0.52) CNR2FAAHHPGDGAAMAPT
SCHEMBL8981574 0.77 CNR2 (0.52) CNR2FAAHHPGDGAAMAPT

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-1790638-A1 CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY Shionogi Co., Ltd. (JP) 2007-05-30 EP disclosed