SCHEMBL8660295

SCHEMBL8660295

CCOC(=O)C12CCC([C@H](O)C(O)C1)N2C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
F10 P00742 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL8660329 0.77 OPRM1 (0.34) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8660331 0.77 OPRM1 (0.34) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL12222686 0.71 MAPK1 (0.33) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8660364 0.71 CYP3A4 (0.31) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8660362 0.71 CYP3A4 (0.31) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1268064 0.69 POLB (0.38) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4287007 0.65 F10 (0.36) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6745756 0.64 POLB (0.36) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL19813356 0.64 F10 (0.39) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL29239801 0.64 OPRM1 (0.35) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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
US-5756508-A Muscarine antagonists MERCK & CO., INC. (US) 1998-05-26 US disclosed
WO-1997016192-A1 MUSCARINE ANTAGONISTS MERCK & CO., INC. (US) 1997-05-09 WO disclosed