SCHEMBL8206816

SCHEMBL8206816

CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(=O)Cc4cccc([N+](=O)[O-])c4)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.62
▸ OPRM1 P35372 12/20 0.56
▸ 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
SCHEMBL8208360 0.92 OPRD1 (0.65) OPRD1OPRM1OPRK1ADRB1PDE4D
SCHEMBL8207750 0.90 OPRD1 (0.65) OPRD1OPRM1OPRK1ADRB1PDE4D
SCHEMBL8507601 0.89 OPRD1 (0.70) OPRD1OPRM1OPRK1ADRB1PDE4D
SCHEMBL8212025 0.89 OPRD1 (0.70) OPRD1OPRM1OPRK1ADRB1PDE4D
SCHEMBL8207238 0.89 OPRD1 (0.68) OPRD1OPRM1OPRK1ADRB1PDE4D
SCHEMBL8213024 0.87 OPRD1 (0.63) OPRD1OPRM1OPRK1ADRB1PDE4D
SCHEMBL8208244 0.86 OPRD1 (0.67) OPRD1OPRM1OPRK1ADRB1PDE4D
SCHEMBL8207178 0.85 OPRD1 (0.65) OPRD1OPRM1OPRK1ADRB1PDE4D
SCHEMBL8211628 0.85 OPRD1 (0.68) OPRD1OPRM1OPRK1ADRB1PDE4D
Diacetylmorphine SCHEMBL9634858 0.84 OPRD1 (0.65) 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
US-6150524-A MORPHINAN DERIVATIVES CENES LTD. (GB) 2000-11-21 — — US disclosed
EP-0960111-A1 MORPHINE DERIVATIVES WITH ANALGESIC ACTIVITY NYCOMED IMAGING AS (NO) 1999-12-01 — — EP disclosed
WO-1997022606-A1 MORPHINE DERIVATIVES WITH ANALGESIC ACTIVITY NYCOMED IMAGING AS (NO) 1997-06-26 — — WO disclosed
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