SCHEMBL11051972

SCHEMBL11051972

CCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)C1(C)CCN(CC=C(C)C)C(C2)C1C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.61
OPRD1 P41143 13/20 0.61
OPRK1 P41145 13/20 0.61
SIGMAR1 Q99720 15/20 0.61
TMEM97 Q5BJF2 4/20 0.61
EBP Q15125 1/20 0.61

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
SCHEMBL11652227 0.86 SIGMAR1 (0.71) OPRM1OPRD1OPRK1SIGMAR1TMEM97
SCHEMBL42095 0.82 OPRM1 (0.65) OPRM1OPRD1OPRK1SIGMAR1TMEM97
SCHEMBL11659331 0.80 OPRM1 (0.65) OPRM1OPRD1OPRK1SIGMAR1TMEM97
SCHEMBL11654239 0.78 OPRM1 (0.61) OPRM1OPRD1OPRK1SIGMAR1TMEM97
Carbamic Acid SCHEMBL6120538 0.77 OPRM1 (0.62) OPRM1OPRD1OPRK1SIGMAR1TMEM97
SCHEMBL13828268 0.77 SIGMAR1 (0.77) OPRM1OPRD1OPRK1SIGMAR1TMEM97
(+)-Pentazocine SCHEMBL16220021 0.77 SIGMAR1 (1.00) OPRM1OPRD1OPRK1SIGMAR1TMEM97
(+)-Pentazocine SCHEMBL18672553 0.77 SIGMAR1 (1.00) OPRM1OPRD1OPRK1SIGMAR1TMEM97
(+)-Pentazocine SCHEMBL4376337 0.77 SIGMAR1 (1.00) OPRM1OPRD1OPRK1SIGMAR1TMEM97
Rel-Pentazocine SCHEMBL135685 0.77 SIGMAR1 (1.00) OPRM1OPRD1OPRK1SIGMAR1TMEM97

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-4464378-A Method of administering narcotic antagonists and analgesics and novel dosage forms containing same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1984-08-07 US disclosed
EP-0077393-A1 NOVEL METHOD OF ADMINISTERING NARCOTIC ANTAGONISTS AND ANALGESICS AND NOVEL DOSAGE FORMS CONTAINING SAME The University of Kentucky Research Foundation (US) 1983-04-27 EP disclosed
WO-1982003768-A1 NOVEL METHOD OF ADMINISTERING NARCOTIC ANTAGONISTS AND ANALGESICS AND NOVEL DOSAGE FORMS CONTAINING SAME UNIV KENTUCKY (US) 1982-11-11 WO disclosed