SCHEMBL3788995

SCHEMBL3788995

CN(C)CCn1nc2ccc(C(=O)NCc3ccccc3OC(F)(F)F)cn2c1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.48
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 1/20 0.46
PPARG P37231 2/20 0.46
RIPK1 Q13546 6/20 0.44
NTRK1 P04629 1/20 0.41
ALOX5 P09917 1/20 0.41
HSD17B13 Q7Z5P4 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GPR139 Q6DWJ6 1/20 0.39

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
SCHEMBL3807116 0.91 PPARG (0.47) EPHX2ROCK2ROCK1PPARGRIPK1
SCHEMBL3791605 0.89 EPHX2 (0.49) EPHX2ROCK2ROCK1PPARGRIPK1
SCHEMBL3786599 0.89 EPHX2 (0.48) EPHX2ROCK2ROCK1PPARGRIPK1
SCHEMBL3786760 0.89 EPHX2 (0.48) EPHX2ROCK2ROCK1PPARGRIPK1
SCHEMBL3790889 0.88 PPARG (0.52) EPHX2ROCK2ROCK1PPARGRIPK1
SCHEMBL3796727 0.87 EPHX2 (0.52) EPHX2ROCK2ROCK1PPARGRIPK1
SCHEMBL3794154 0.87 EPHX2 (0.52) EPHX2ROCK2ROCK1PPARGRIPK1
SCHEMBL3788362 0.86 EPHX2 (0.49) EPHX2ROCK2ROCK1PPARGRIPK1
SCHEMBL13258052 0.86 EPHX2 (0.49) EPHX2ROCK2ROCK1PPARGRIPK1
SCHEMBL3788636 0.85 EPHX2 (0.48) EPHX2ROCK2ROCK1PPARGRIPK1

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