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Diacetylmorphine

Diacetylmorphine

SCHEMBL6566145

CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1

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

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 known ✓ P35372 12/20 0.77
▸ OPRK1 P41145 9/20 0.77
▸ OPRD1 P41143 5/20 0.77
▸ MRGPRX2 Q96LB1 3/20 0.77
▸ ADRB1 P08588 1/20 0.77
▸ PDE4D Q08499 1/20 0.77
▸ PDE3A Q14432 1/20 0.77

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
Diacetylmorphine SCHEMBL2346177 0.93 OPRM1 (0.71) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL2638139 0.93 OPRD1 (0.79) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL10381363 0.93 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL16922136 0.93 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL29631710 0.93 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL16183153 0.93 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL35150 0.93 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL13998950 0.93 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL14463869 0.93 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL16922130 0.93 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1

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-1439827-A2 INHALATION OF VAPOUR OF THERAPEUTICAL SUBSTANCES GW Pharma Limited (GB) 2004-07-28 — — EP disclosed
WO-2003037306-A2 INHALATION OF VAPOUR OF THERAPEUTICAL SUBSTANCES, LIKE E.G. CANNABIS EXTRACT GW PHARMA LIMITED (GB) 2003-05-08 — — WO disclosed