SCHEMBL852164

SCHEMBL852164

O=c1c(NC[C@@H](O)CO)nc2ccccc2n1C1CC2CCC(C1)N2C1CCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 1.00
OPRK1 P41145 17/20 1.00
OPRM1 P35372 16/20 1.00
OPRD1 P41143 7/20 1.00

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
SCHEMBL852163 1.00 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL880618 1.00 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL880833 1.00 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL17561628 0.92 OGFRL1 (0.84) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL18290508 0.91 OGFRL1 (0.89) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL854598 0.90 OGFRL1 (0.82) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL854599 0.90 OGFRL1 (0.82) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852219 0.88 OGFRL1 (0.78) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852220 0.88 OGFRL1 (0.78) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852487 0.86 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