SCHEMBL4009841

SCHEMBL4009841

O=C(Nc1ccc(N2CCOCC2)cc1)NC1CCN(C(=O)CI)CC1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.80
GAA P10253 1/20 0.69
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL2720380 0.89 EPHX2 (1.00) EPHX2GAA
SCHEMBL4111205 0.85 EPHX2 (0.77) EPHX2GAAMAPTSMN1; SMN2
SCHEMBL3956569 0.79 EPHX2 (0.67) EPHX2GAAMAPTSMN1; SMN2
SCHEMBL4012369 0.79 EPHX2 (0.69) EPHX2GAA
SCHEMBL4013955 0.79 EPHX2 (0.70) EPHX2MAPTSMN1; SMN2
SCHEMBL14077968 0.78 EPHX2 (0.70) EPHX2GAAMAPTSMN1; SMN2
SCHEMBL4015336 0.77 EPHX2 (0.80) EPHX2
SCHEMBL3961426 0.77 EPHX2 (0.69) EPHX2GAA
SCHEMBL4193206 0.76 EPHX2 (0.80) EPHX2
SCHEMBL4010411 0.76 EPHX2 (0.67) 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-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed