SCHEMBL6981778

SCHEMBL6981778

CCOC(=O)C1(c2ccc(C(F)(F)F)cc2)OCC(c2ccccc2)(c2ccccc2)CO1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.42
OPRD1 P41143 6/20 0.42
OPRK1 P41145 6/20 0.42
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRL1 P41146 1/20 0.39
TSHR P16473 1/20 0.39
THRB P10828 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
RORC P51449 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR1I2 O75469 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
SCHEMBL6978140 0.89 OPRM1 (0.49) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6974990 0.88 OPRM1 (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6979724 0.87 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7819154 0.86 CNR1 (0.36) OPRM1OPRD1OPRK1L3MBTL1THRB
SCHEMBL6970913 0.84 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6981106 0.83 APP (0.43) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6971760 0.83 OPRM1 (0.39) OPRM1
SCHEMBL6981080 0.82 THRB (0.44) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL6979503 0.79 OPRM1 (0.48) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6979573 0.79 OPRM1 (0.49) OPRM1OPRK1NPSR1

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