SCHEMBL854599

SCHEMBL854599

O=C(O)CC(O)CNc1nc2ccccc2n(C2CC3CCC(C2)N3C2CCCCCCC2)c1=O

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.82
OPRK1 P41145 17/20 0.82
OPRM1 P35372 16/20 0.82
OPRD1 P41143 6/20 0.82

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
SCHEMBL854598 1.00 OGFRL1 (0.82) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852220 0.91 OGFRL1 (0.78) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852219 0.91 OGFRL1 (0.78) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL880618 0.90 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL880833 0.90 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852163 0.90 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852164 0.90 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL17561628 0.89 OGFRL1 (0.84) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852667 0.87 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852666 0.87 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
EP-3101018-A1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma L.P. (US) 2016-12-07 EP disclosed
EP-2433937-B1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof PURDUE PHARMA LP (US) 2016-06-29 EP disclosed
EP-2086958-B1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2015-01-14 EP disclosed
EP-2433937-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
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