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Nalmefene

Nalmefene

SCHEMBL3414261

C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRD1OPRK1OPRM1

The experimentally established mechanism targets of Nalmefene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 known ✓ P41145 8/20 0.69
▸ OPRM1 known ✓ P35372 8/20 0.69
▸ OPRD1 known ✓ P41143 7/20 0.69
▸ NR1I2 O75469 1/20 0.69
▸ KCNH2 Q12809 1/20 0.69
▸ SIGMAR1 Q99720 1/20 0.68
▸ CYP2D6 P10635 7/20 0.57
▸ CHRNA7 P36544 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ CYBB P04839 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ MAPT P10636 2/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ MEN1 O00255 1/20 0.55

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
Nalmefene SCHEMBL7574800 0.96 OPRK1 (0.64) OPRK1OPRM1OPRD1NR1I2KCNH2
Naltrexone SCHEMBL9837116 0.93 OPRK1 (0.68) OPRK1OPRM1OPRD1NR1I2KCNH2
Naloxone SCHEMBL2307300 0.88 OPRK1 (0.74) OPRK1OPRM1OPRD1SIGMAR1CYP2D6
Naltrexone SCHEMBL2425204 0.84 OPRM1 (0.71) OPRK1OPRM1OPRD1CYP2D6CHRNA7
Naloxone SCHEMBL2588324 0.84 OPRK1 (0.71) OPRK1OPRM1OPRD1SIGMAR1CYP2D6
Naloxone SCHEMBL28209122 0.83 OPRK1 (0.71) OPRK1OPRM1OPRD1SIGMAR1CYP2D6
Nalmefene SCHEMBL17168341 0.83 OPRD1 (1.00) OPRK1OPRM1OPRD1NR1I2KCNH2
Nalmefene SCHEMBL35230 0.83 OPRD1 (1.00) OPRK1OPRM1OPRD1NR1I2KCNH2
Nalmefene SCHEMBL12945213 0.83 OPRD1 (1.00) OPRK1OPRM1OPRD1NR1I2KCNH2
Nalmefene SCHEMBL18457569 0.83 OPRD1 (1.00) OPRK1OPRM1OPRD1NR1I2KCNH2

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
EP-2262813-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF MORPHINANE ANALOGUES Sun Pharmaceutical Industries LTD (IN) 2010-12-22 — — EP disclosed
WO-2009122436-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF MORPHINANE ANALOGUES SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2009-10-08 — — WO disclosed