SCHEMBL853225

SCHEMBL853225

COC(=O)C(NC(=O)c1nc2ccccc2n(C2CC3CCC[C@@H](C2)N3C2CCCCCCC2)c1=O)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.84
OPRK1 P41145 20/20 0.84
OGFRL1 Q5TC84 19/20 0.84
OPRD1 P41143 18/20 0.84
OPRL1 P41146 3/20 0.65

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
SCHEMBL853224 1.00 OPRM1 (0.84) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL13221774 1.00 OPRM1 (0.84) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL852931 0.98 OGFRL1 (0.84) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL852930 0.98 OGFRL1 (0.84) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL880803 0.98 OGFRL1 (0.84) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL3055276 0.91 OPRM1 (1.00) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL852675 0.91 OPRM1 (1.00) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL852676 0.91 OPRM1 (1.00) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL3055277 0.91 OPRM1 (1.00) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL852563 0.90 OGFRL1 (1.00) OPRM1OPRK1OGFRL1OPRD1OPRL1

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 8 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
US-8846929-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2014-09-30 US 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