SCHEMBL6459794

SCHEMBL6459794

CN1CC[C@]23c4c5ccc(OC(=O)c6ccccc6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.77
OPRM1 P35372 6/20 0.73
OPRK1 P41145 4/20 0.73
MRGPRX2 Q96LB1 4/20 0.73
ADRB1 P08588 1/20 0.73
PDE4D Q08499 1/20 0.73
PDE3A Q14432 1/20 0.73
SLC22A1 O15245 1/20 0.65
ADRA2A P08913 1/20 0.65
ARRB1 P49407 1/20 0.65

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
SCHEMBL12082084 0.96 OPRD1 (0.76) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL12082085 0.95 OPRD1 (0.73) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL15501040 0.95 OPRD1 (0.73) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL12082398 0.93 OPRD1 (0.73) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL15702077 0.92 OPRD1 (0.71) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL12082393 0.92 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL12082396 0.92 OPRD1 (0.70) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Quinoline SCHEMBL27880973 0.91 OPRD1 (0.65) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL28475957 0.91 OPRD1 (0.67) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL27496008 0.90 OPRD1 (0.66) OPRD1OPRM1OPRK1MRGPRX2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1863513-B Abuse-proofed dosage form GRUENENTHAL GMBH 2013-01-16 CN disclosed
CN-1980643-B Method for producing abuse-proofed solid dosage forms GRUENENTHAL GMBH 2012-05-30 CN disclosed
CN-100577150-C Abuse-proof dosage form GRUENENTHAL GMBH 2010-01-06 CN disclosed
CN-101421391-A High yield activation of polymer surfaces for covalent attachment of molecules UNIV PRINCETON (US) 2009-04-29 CN disclosed
US-6936661-B2 Medical contact adhesive comprising a two phase adhesive matrix of polyacrylates and polyamine salts LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2005-08-30 US disclosed
US-20040010054-A1 Pressure sensitive adhesives; acrylated resins; transdermal administering LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2004-01-15 US disclosed
EP-1053244-B1 GLYCOSIDATION OF 4,5-EPOXYMORPHINAN-6-OLS FINETECH LTD (IL) 2003-10-22 EP disclosed
US-6555665-B1 With a thioglycoside as a glycoside donor in the presence of a thiophilic promoter; stereoselectivity, high yield; hydrolysing product to obtain Morphine-6-beta-D-glucuronide (M6G) CENES LIMITED (GB) 2003-04-29 US disclosed
US-6403602-B1 Morphine-6-sulfate analogues and their use for the treatment of pain THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2002-06-11 US disclosed