SCHEMBL3831728

SCHEMBL3831728

NC(=O)c1ccc2c3c1O[C@@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 1.00
OPRM1 P35372 12/20 1.00
OPRK1 P41145 12/20 1.00
CYP2D6 P10635 4/20 0.77
CHRNA7 P36544 1/20 0.77
CYP1A2 P05177 1/20 0.77
PKM P14618 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.76
LMNA P02545 2/20 0.75
HIF1A Q16665 1/20 0.75
ALDH1A1 P00352 1/20 0.74
CYP3A4 P08684 1/20 0.74
TSHR P16473 1/20 0.74
HSD17B10 Q99714 1/20 0.74
BLM P54132 1/20 0.73

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
SCHEMBL19632954 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL45924 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL2785528 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL2785531 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL13171965 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL29265327 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL2785024 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL3831721 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL16445250 0.97 OPRD1 (0.93) OPRD1OPRM1OPRK1CYP2D6CHRNA7
SCHEMBL19181060 0.97 OPRD1 (0.93) OPRD1OPRM1OPRK1CYP2D6CHRNA7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099456-A2 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS Progenics Pharmaceuticals, Inc. (US) 2009-09-16 EP claimed
WO-2009067275-A1 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARMACEUTICALS, INC (US) 2009-05-28 WO claimed
WO-2008070462-A2 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARMACEUTICALS, INC. (US) 2008-06-12 WO claimed
EP-2099456-A2 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS Progenics Pharmaceuticals, Inc. (US) 2009-09-16 EP disclosed
WO-2008070462-A2 N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARMACEUTICALS, INC. (US) 2008-06-12 WO disclosed