SCHEMBL3810011

SCHEMBL3810011

COc1ccc(CNC(=O)c2ccc3nn(CCN4CCOCC4)c(=O)n3c2)c(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.49
PDE4B Q07343 1/20 0.45
LMNA P02545 1/20 0.43
CNR2 P34972 1/20 0.43
TSHR P16473 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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) EPHX2LMNACNR2TSHRCYP2C9
SCHEMBL3788290 0.88 EPHX2 (0.46) EPHX2TSHR
SCHEMBL3792501 0.87 CNR2 (0.48) EPHX2CNR2
SCHEMBL3810168 0.87 CD274 (0.42) EPHX2CNR2
SCHEMBL3796983 0.85 DDR1 (0.43) EPHX2
SCHEMBL3788746 0.85 EPHX2 (0.45) EPHX2
SCHEMBL3794448 0.84 EPHX2 (0.44) EPHX2
SCHEMBL3808163 0.84 DDR1 (0.45) EPHX2PDE4BLMNA
SCHEMBL3795518 0.83 EPHX2 (0.44) EPHX2
SCHEMBL3792366 0.80 EPHX2 (0.49) EPHX2

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