SCHEMBL46013

SCHEMBL46013

CCN(CC1CC1)C1Cc2ccc(O)c3c2C2C(O3)C3(CCC21O)OCCO3

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.32
OPRM1 P35372 5/20 0.31
OPRK1 P41145 5/20 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
SCHEMBL46009 0.92 HCRTR1 (0.30)
SCHEMBL13248804 0.89 OPRD1 (0.35) OPRD1OPRM1OPRK1
SCHEMBL45984 0.89 OPRD1 (0.35) OPRD1OPRM1OPRK1
SCHEMBL46005 0.85
SCHEMBL13963260 0.82
SCHEMBL14161022 0.80 HCRTR1 (0.37) OPRD1OPRM1OPRK1
SCHEMBL18473427 0.80 HCRTR1 (0.37) OPRD1OPRM1OPRK1
SCHEMBL13248813 0.80
SCHEMBL13962904 0.79 OPRM1 (0.37) OPRD1OPRM1OPRK1
SCHEMBL13847996 0.79 OPRM1 (0.36) OPRD1OPRM1OPRK1

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
WO-2012005795-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED MORPHINANS ALKERMES, INC. (US) 2012-01-12 WO disclosed