SCHEMBL27652113

SCHEMBL27652113

O=[N+]([O-])c1c(OCc2cccc(C(F)(F)F)c2)ncnc1N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MGMT P16455 2/20 0.42
SLC29A1 Q99808 1/20 0.41
NPY5R Q15761 1/20 0.40
RBP4 P02753 1/20 0.40
MET P08581 3/20 0.40
GPR119 Q8TDV5 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RPS6KB1 P23443 1/20 0.39
ENPP2 Q13822 1/20 0.38
NR4A2 P43354 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL27631875 0.88 MGMT (0.42) MAPTMAOBMAOAKDM4EALDH1A1
SCHEMBL1673998 0.83 GPR119 (0.62) MAPTKDM4EALDH1A1GPR119MEN1
SCHEMBL1673601 0.82 AURKA (0.51) KDM4EALDH1A1GAAMETGPR119
SCHEMBL27652097 0.80 ATM (0.42) MAOBMAOAMGMTRBP4GPR119
SCHEMBL27652247 0.78 SERPINE1 (0.49) GPR119
SCHEMBL1673935 0.75 GPR119 (0.61) MAPTKDM4EALDH1A1GPR119MEN1
SCHEMBL46749 0.73 SERPINE1 (0.41) MAPTMAOBMAOAKDM4EALDH1A1
SCHEMBL1673623 0.71 GPR119 (0.64) MAPTKDM4EALDH1A1GPR119MEN1
SCHEMBL1673949 0.71 HTT (0.48) ALDH1A1METRPS6KB1
SCHEMBL12733443 0.70 GPR119 (0.64) MAPTKDM4EALDH1A1GPR119MEN1

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
CN-1835943-A 1,2, 3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prevention and treatment of diseases related thereto, such as diabetes and hyperglycemia ARENA PHARM INC (US) 2006-09-20 CN disclosed