Morphine Glucuronide

Morphine Glucuronide

SCHEMBL5674692

CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OC2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C[C@H]3[C@H]1C5.O=S(=O)(O)O

nearest known ligand 0.94

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Known targets — ChEMBL curated mechanism

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

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

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 3/20 0.94
OPRD1 known ✓ P41143 3/20 0.67
OPRK1 known ✓ P41145 2/20 0.65
MRGPRX2 Q96LB1 2/20 0.94

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
Morphine Glucuronide SCHEMBL152647 0.97 OPRM1 (1.00) OPRM1MRGPRX2OPRD1OPRK1
Morphine Glucuronide SCHEMBL17302928 0.97 OPRM1 (1.00) OPRM1MRGPRX2OPRD1OPRK1
Morphine Glucuronide SCHEMBL13267437 0.97 OPRM1 (1.00) OPRM1MRGPRX2OPRD1OPRK1
Morphine Glucuronide SCHEMBL12082244 0.97 OPRM1 (1.00) OPRM1MRGPRX2OPRD1OPRK1
Morphine Glucuronide SCHEMBL612431 0.97 OPRM1 (1.00) OPRM1MRGPRX2OPRD1OPRK1
Morphine Glucuronide SCHEMBL1743681 0.97 OPRM1 (1.00) OPRM1MRGPRX2OPRD1OPRK1
Morphine Glucuronide SCHEMBL13268600 0.97 OPRM1 (1.00) OPRM1MRGPRX2OPRD1OPRK1
Morphine Glucuronide SCHEMBL6754812 0.97 OPRM1 (1.00) OPRM1MRGPRX2OPRD1OPRK1
Morphine Glucuronide SCHEMBL13245908 0.97 OPRM1 (1.00) OPRM1MRGPRX2OPRD1OPRK1
Morphine Glucuronide SCHEMBL5674614 0.96 OPRM1 (0.98) OPRM1MRGPRX2OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166900-A1 Salt of morphine-6-glucuronide CENES LIMITED (GB) 2006-07-27 US disclosed
EP-1537132-B1 SALT OF MORPHINE-6-GLUCURONIDE CENES LTD (GB) 2006-01-04 EP disclosed
EP-1537132-A1 SALT OF MORPHINE-6-GLUCURONIDE CeNeS Limited (GB) 2005-06-08 EP disclosed
WO-2004016633-A1 SALT OF MORPHINE-6-GLUCURONIDE CENES LIMITED (GB) 2004-02-26 WO disclosed