SCHEMBL880397

SCHEMBL880397

O=c1c(NCCCO)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.89
OPRM1 P35372 17/20 0.89
OPRK1 P41145 17/20 0.89
OPRD1 P41143 11/20 0.78

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
SCHEMBL853229 0.94 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17561622 0.88 OGFRL1 (0.81) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852491 0.88 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853837 0.87 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL3952152 0.87 OGFRL1 (0.82) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21548068 0.87 OGFRL1 (0.73) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880523 0.86 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880328 0.85 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL13221454 0.85 OGFRL1 (0.76) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL13221945 0.85 OGFRL1 (0.77) 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 3 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-2433936-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