SCHEMBL4634683

SCHEMBL4634683

OCCN1CCOC(Cl)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
DRD3 P35462 7/20 0.34
SLC18A3 Q16572 1/20 0.33
MAPK1 P28482 1/20 0.33
PDK1 Q15118 1/20 0.30

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
SCHEMBL19466474 0.83
SCHEMBL6327778 0.82 DRD3 (0.32) DRD3
SCHEMBL19466478 0.77 DRD3 (0.31) DRD3
SCHEMBL28134274 0.76 KDM4E (0.45) KDM4EALDH1A1DRD3SLC18A3MAPK1
SCHEMBL12331468 0.76 KDM4E (0.45) KDM4EALDH1A1DRD3SLC18A3MAPK1
SCHEMBL6043875 0.76 KDM1A (0.47) KDM4EALDH1A1DRD3SLC18A3MAPK1
SCHEMBL11392579 0.75
SCHEMBL11213803 0.75
SCHEMBL13337770 0.74 KDM4E (0.44) KDM4EALDH1A1DRD3SLC18A3MAPK1
SCHEMBL27814512 0.74 EBP (0.47) DRD3

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-1934182-A1 N-SUBSTITUTED PYRIDINONE OR PYRIMIDINONE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-25 EP disclosed
WO-2007044491-A1 N-SUBSTITUTED PYRIDINONE OR PYRIMIDINONE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 WO disclosed