SCHEMBL880713

SCHEMBL880713

CCOC(=O)c1nc2ccccc2n(C2CCN(/C3=C/CCCCCC3)CC2)c1=O

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.70
OPRM1 P35372 17/20 0.70
OPRK1 P41145 17/20 0.70
OPRD1 P41143 12/20 0.70

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
SCHEMBL880711 0.86 OGFRL1 (0.66) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852981 0.82 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852961 0.79 OPRK1 (0.76) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853301 0.79 OGFRL1 (0.80) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853952 0.77 OGFRL1 (0.80) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL19861069 0.76 OGFRL1 (0.73) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL854101 0.76 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853756 0.76 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853427 0.76 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853755 0.76 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433935-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433937-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433936-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO disclosed