SCHEMBL6979503

SCHEMBL6979503

CCOC(=O)C1(c2ccc(Cl)c(Cl)c2)OCC(c2ccccc2)(c2ccccc2)CO1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.48
SLC6A4 P31645 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
SLC22A1 O15245 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6982866 0.87 OPRM1 (0.41) OPRM1SLC6A4SLC6A2SLC6A3OPRD1
SCHEMBL6970913 0.87 OPRM1 (0.45) OPRM1SLC6A4OPRD1OPRK1SLC22A1
SCHEMBL6978140 0.86 OPRM1 (0.49) OPRM1SLC6A4OPRD1OPRK1SLC22A1
SCHEMBL6979724 0.84 OPRM1 (0.45) OPRM1SLC6A4OPRD1OPRK1SLC22A1
SCHEMBL6974990 0.83 OPRM1 (0.46) OPRM1SLC6A4OPRD1OPRK1SLC22A1
SCHEMBL6973280 0.82 SLC6A2 (0.37) SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL6979573 0.81 OPRM1 (0.49) OPRM1OPRK1MAPTMAPK1HTT
SCHEMBL6981106 0.81 APP (0.43) OPRM1SLC6A4OPRD1OPRK1SLC22A1
SCHEMBL7145811 0.80 APP (0.38) OPRM1SLC6A4OPRD1OPRK1SLC22A1
SCHEMBL6981778 0.79 OPRM1 (0.42) OPRM1SLC6A4OPRD1OPRK1SLC22A1

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
EP-1098893-B1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2003-03-26 EP disclosed