SCHEMBL7770909

SCHEMBL7770909

CCCCCCCCCC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.71
OPRK1 P41145 11/20 0.71
OPRD1 P41143 6/20 0.71
MRGPRX2 Q96LB1 3/20 0.64
ADRB1 P08588 1/20 0.64
PDE4D Q08499 1/20 0.64
PDE3A Q14432 1/20 0.64

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
SCHEMBL3477477 1.00 OPRM1 (0.71) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL7775794 1.00 OPRM1 (0.71) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL3477727 0.97 OPRM1 (0.73) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL29610430 0.96 OPRM1 (0.77) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL22959877 0.96 OPRM1 (0.77) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL10329433 0.92 OPRM1 (0.73) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Myrophine SCHEMBL26043 0.89 OPRD1 (0.56) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Myrophine SCHEMBL29851007 0.89 OPRD1 (0.56) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL22959880 0.89 OPRM1 (0.66) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL2322859 0.89 OPRM1 (0.78) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255502-B1 DRUG DELIVERY THROUGH SKIN, INTESTINAL, ORAL, NASAL, AND RECTAL MUCOSA ENHANCED BY FORMING INCLUSION COMPLEXES WITH CYCLODEXTRINS (SOLUBILIZERS/STABILIZERS) AND ACID-ADDITION SALTS OF DRUGS (CODEINE) AND A FATTY/BILE ACID FARMARC NEDERLAND B.V. (NL) 2001-07-03 US claimed
JP-2001508027-A 2001-06-19 JP claimed
EP-1024833-A1 Pharmaceutical composition containing acid addition salt of basic drug FARMARC NEDERLAND B.V. (NL) 2000-08-09 EP claimed
CN-1230123-A Inclusion complex containing indole selective serotonin agonist FARMARC NEDERLAND BV (NL) 1999-09-29 CN claimed
WO-1998002187-A1 PHARMACEUTICAL COMPOSITION CONTAINING ACID ADDITION SALT OF BASIC DRUG FARMARC NEDERLAND B.V. (NL) 1998-01-22 WO claimed
US-6255502-B1 DRUG DELIVERY THROUGH SKIN, INTESTINAL, ORAL, NASAL, AND RECTAL MUCOSA ENHANCED BY FORMING INCLUSION COMPLEXES WITH CYCLODEXTRINS (SOLUBILIZERS/STABILIZERS) AND ACID-ADDITION SALTS OF DRUGS (CODEINE) AND A FATTY/BILE ACID FARMARC NEDERLAND B.V. (NL) 2001-07-03 US disclosed
EP-1024833-A1 Pharmaceutical composition containing acid addition salt of basic drug FARMARC NEDERLAND B.V. (NL) 2000-08-09 EP disclosed
CN-1230123-A Inclusion complex containing indole selective serotonin agonist FARMARC NEDERLAND BV (NL) 1999-09-29 CN disclosed
WO-1998002187-A1 PHARMACEUTICAL COMPOSITION CONTAINING ACID ADDITION SALT OF BASIC DRUG FARMARC NEDERLAND B.V. (NL) 1998-01-22 WO disclosed