Levallorphan

Levallorphan

SCHEMBL20505815

C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRK1OPRM1

The experimentally established mechanism targets of Levallorphan. 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
OPRM1 known ✓ P35372 10/20 1.00
OPRK1 known ✓ P41145 7/20 1.00
KCNH2 Q12809 2/20 1.00
ALDH1A1 P00352 1/20 1.00
LMNA P02545 1/20 1.00
HTT P42858 1/20 1.00
CHRM2 P08172 1/20 1.00
HTR1A P08908 1/20 1.00
ACHE P22303 1/20 1.00
PTGS1 P23219 1/20 1.00
DRD3 P35462 1/20 1.00
OPRD1 P41143 11/20 0.86
GRIN2D O15399 3/20 0.69
GRIN3B O60391 3/20 0.69
GRIN1 Q05586 3/20 0.69
GRIN2A Q12879 3/20 0.69
GRIN2B Q13224 3/20 0.69
GRIN2C Q14957 3/20 0.69
GRIN3A Q8TCU5 3/20 0.69
SLC22A1 O15245 2/20 0.69

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
Levallorphan SCHEMBL12232843 1.00 OPRM1 (1.00) OPRM1OPRK1KCNH2ALDH1A1LMNA
Levallorphan SCHEMBL29368769 1.00 OPRM1 (1.00) OPRM1OPRK1KCNH2ALDH1A1LMNA
Levallorphan SCHEMBL209271 1.00 OPRM1 (1.00) OPRM1OPRK1KCNH2ALDH1A1LMNA
Levallorphan SCHEMBL34060 1.00 OPRM1 (1.00) OPRM1OPRK1KCNH2ALDH1A1LMNA
Levallorphan SCHEMBL12233279 1.00 OPRM1 (1.00) OPRM1OPRK1KCNH2ALDH1A1LMNA
Levallorphan SCHEMBL16311899 1.00 OPRM1 (1.00) OPRM1OPRK1KCNH2ALDH1A1LMNA
Dextallorphan SCHEMBL29438705 1.00 OPRM1 (1.00) OPRM1OPRK1KCNH2ALDH1A1LMNA
Levallorphan SCHEMBL678413 1.00 OPRM1 (1.00) OPRM1OPRK1KCNH2ALDH1A1LMNA
Levallorphan SCHEMBL8459964 0.99 OPRM1 (0.98) OPRM1OPRK1KCNH2ALDH1A1LMNA
Levallorphan SCHEMBL5675160 0.97 OPRM1 (0.94) OPRM1OPRK1KCNH2ALDH1A1LMNA

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
EP-3377048-A1 ABUSE RESISTANT TRANSDERMAL DELIVERY DEVICES AND COMPOSITIONS COMPRISING AN OPIOID AGONIST AND A NON-TRANSDERMALLY DELIVERED N-OXIDE DERIVATIVE OF AN OPIOID ANTAGONIST FOR THE TREATMENT OF PAIN Euro-Celtique S.A. (LU) 2018-09-26 EP disclosed