SCHEMBL4565330

SCHEMBL4565330

O=C(O)CCC(=O)N1CCC(CNC(=O)NC2C3CC4CC(C3)CC2C4)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.64
EPHX1 P07099 10/20 0.64
HSD11B1 P28845 1/20 0.45

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
SCHEMBL19798753 0.80 EPHX2 (0.64) EPHX2EPHX1HSD11B1
SCHEMBL5146687 0.78 EPHX1 (1.00) EPHX2EPHX1
SCHEMBL19798751 0.77 EPHX2 (0.60) EPHX2EPHX1HSD11B1
SCHEMBL19798752 0.77 EPHX2 (0.60) EPHX2EPHX1HSD11B1
SCHEMBL19798749 0.76 EPHX2 (0.61) EPHX2EPHX1HSD11B1
SCHEMBL20724718 0.73 EPHX2 (0.55) EPHX2EPHX1HSD11B1
SCHEMBL5146628 0.71 EPHX2 (1.00) EPHX2EPHX1
SCHEMBL4215609 0.71 HSD11B1 (0.56) EPHX2HSD11B1
SCHEMBL17875052 0.70 EPHX2 (0.70) EPHX2EPHX1
SCHEMBL25358145 0.67 L3MBTL1 (0.68) EPHX2HSD11B1

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
EP-2029539-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) 2009-03-04 EP disclosed
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