SCHEMBL8232185

SCHEMBL8232185

C=S(=O)(c1ccc(C)cc1)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.84
EPHX1 P07099 7/20 0.84
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
GAA P10253 1/20 0.64
CYP2C19 P33261 1/20 0.64
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL2717510 0.91 EPHX2 (1.00) EPHX2EPHX1CYP1A2CYP3A4GAA
SCHEMBL1913735 0.84 EPHX2 (1.00) EPHX2EPHX1
SCHEMBL17316257 0.84 EPHX2 (0.83) EPHX2EPHX1
SCHEMBL2730200 0.83 EPHX2 (1.00) EPHX2EPHX1
SCHEMBL27735940 0.83 EPHX2 (0.69) EPHX2EPHX1CYP1A2CYP3A4GAA
SCHEMBL4010451 0.83 EPHX2 (0.80) EPHX2EPHX1
SCHEMBL3346010 0.82 EPHX2 (1.00) EPHX2EPHX1
SCHEMBL2729784 0.81 EPHX2 (1.00) EPHX2EPHX1CYP1A2CYP3A4GAA
SCHEMBL15335336 0.80 EPHX2 (0.78) EPHX2EPHX1
SCHEMBL14984066 0.79 CYP1A2 (1.00) EPHX2EPHX1CYP1A2CYP3A4GAA

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
WO-2007106525-A1 PIPERIDINYL, INDOLYL, PIRINIDYL, MORPHOLINYL AND BENZIMIDAZOLYL UREA DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE FOR THE TREATMENT OF HYPERTENSION, INFLAMMATIONS AND OTHER DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-20 WO disclosed