SCHEMBL13847996

SCHEMBL13847996

C=C1CC[C@]2(O)C3c4c(ccc(O)c4O[C@@H]13)C[C@H]2N(CC)CC1CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
NR1I2 O75469 1/20 0.36
KCNH2 Q12809 1/20 0.36
HCRTR1 O43613 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
SCHEMBL22147326 0.93 NR1I2 (0.37) OPRM1OPRD1OPRK1NR1I2KCNH2
SCHEMBL13962904 0.90 OPRM1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL14292473 0.83 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL14161022 0.81 HCRTR1 (0.37) OPRM1OPRD1OPRK1HCRTR1
SCHEMBL18473427 0.81 HCRTR1 (0.37) OPRM1OPRD1OPRK1HCRTR1
SCHEMBL13848158 0.80 HCRTR1 (0.32) OPRM1OPRD1OPRK1HCRTR1
SCHEMBL12337178 0.79 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL46013 0.79 OPRD1 (0.32) OPRM1OPRD1OPRK1
SCHEMBL10111273 0.79 HCRTR1 (0.38) OPRM1OPRD1OPRK1HCRTR1
SCHEMBL13067353 0.77 OPRM1 (0.36) OPRM1OPRD1OPRK1HCRTR1

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-2009067275-A1 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARMACEUTICALS, INC (US) 2009-05-28 WO disclosed