SCHEMBL46009

SCHEMBL46009

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

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 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
SCHEMBL46013 0.92 OPRD1 (0.32)
SCHEMBL13248804 0.80 OPRD1 (0.35) HCRTR1
SCHEMBL45984 0.80 OPRD1 (0.35) HCRTR1
SCHEMBL10072374 0.78 HCRTR1 (0.42) HCRTR1
SCHEMBL10072368 0.77 OPRM1 (0.33) HCRTR1
SCHEMBL13963260 0.73
SCHEMBL18473427 0.71 HCRTR1 (0.37) HCRTR1
SCHEMBL14161022 0.71 HCRTR1 (0.37) HCRTR1
SCHEMBL13659860 0.71 OPRK1 (0.32)
SCHEMBL13962904 0.70 OPRM1 (0.37)

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