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Diacetylmorphine

Diacetylmorphine

SCHEMBL9634858

CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1

nearest known ligand 0.65

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 0.56
▸ OPRD1 P41143 11/20 0.65
▸ OPRK1 P41145 10/20 0.56
▸ ADRB1 P08588 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ MRGPRX2 Q96LB1 1/20 0.50

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 SCHEMBL29631710 0.88 OPRD1 (0.81) OPRD1OPRM1OPRK1ADRB1PDE4D
Diacetylmorphine SCHEMBL16183153 0.88 OPRD1 (0.81) OPRD1OPRM1OPRK1ADRB1PDE4D
Diacetylmorphine SCHEMBL14463869 0.88 OPRD1 (0.81) OPRD1OPRM1OPRK1ADRB1PDE4D
Diacetylmorphine SCHEMBL35150 0.88 OPRD1 (0.81) OPRD1OPRM1OPRK1ADRB1PDE4D
Diacetylmorphine SCHEMBL17302926 0.88 OPRD1 (0.81) OPRD1OPRM1OPRK1ADRB1PDE4D
Diacetylmorphine SCHEMBL16922136 0.88 OPRD1 (0.81) OPRD1OPRM1OPRK1ADRB1PDE4D
Diacetylmorphine SCHEMBL16922130 0.88 OPRD1 (0.81) OPRD1OPRM1OPRK1ADRB1PDE4D
Diacetylmorphine SCHEMBL13998950 0.88 OPRD1 (0.81) OPRD1OPRM1OPRK1ADRB1PDE4D
Diacetylmorphine SCHEMBL10381363 0.88 OPRD1 (0.81) OPRD1OPRM1OPRK1ADRB1PDE4D
Diacetylmorphine SCHEMBL25681429 0.88 OPRD1 (0.81) OPRD1OPRM1OPRK1ADRB1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233063-B1 PROCESS AND KIT FOR DRUG DETECTION EREZ FORENSIC TECHNOLOGY, LTD. (IL) 1992-05-27 — — EP disclosed
US-4840912-A Process for drug detection EREZ FORENSIC TECHNOLOGY, LTD. (IL) 1989-06-20 — — US disclosed
EP-0233063-A1 Process and kit for drug detection EREZ FORENSIC TECHNOLOGY, LTD. (IL) 1987-08-19 — — EP disclosed
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