SCHEMBL3810168

SCHEMBL3810168

N#Cc1ccc(CNC(=O)c2ccc3nn(CCN4CCOCC4)c(=O)n3c2)c(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.42
EPHX2 P34913 4/20 0.39
DDR1 Q08345 3/20 0.38
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 4/20 0.38
CNR2 P34972 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
WNT3A P56704 1/20 0.36
MLLT1 Q03111 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL3710884 0.89 EPHX2 (0.47) CD274EPHX2DDR1CNR2WNT3A
SCHEMBL3788832 0.88 EPHX2 (0.40) EPHX2DDR1
SCHEMBL3798917 0.88 EPHX2 (0.39) EPHX2DDR1
SCHEMBL3810011 0.87 EPHX2 (0.49) EPHX2CNR2
SCHEMBL3792501 0.87 CNR2 (0.48) EPHX2CNR2
SCHEMBL3796983 0.85 DDR1 (0.43) EPHX2DDR1
SCHEMBL3790479 0.84 GPR139 (0.41) EPHX2DDR1
SCHEMBL3795177 0.84 DDR1 (0.43) EPHX2DDR1EGLN1
SCHEMBL3787484 0.81 EPHX2 (0.39) EPHX2EGLN1DRD2KCNH2SCN9A
Hydrochloric Acid SCHEMBL3792564 0.80 EPHX2 (0.39) EPHX2EGLN1DRD2KCNH2SCN9A

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
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO disclosed
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO disclosed