SCHEMBL852439

SCHEMBL852439

O=C(O)CN1CC2CN(c3nc4ccccc4n(C4CC5CCC(C4)N5C4CCCCCCC4)c3=O)CC2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 1.00
OPRM1 P35372 18/20 1.00
OPRK1 P41145 18/20 1.00
OPRD1 P41143 15/20 0.80
OPRL1 P41146 2/20 0.62

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
SCHEMBL852438 1.00 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL853439 0.89 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL21547954 0.89 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL853438 0.89 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852577 0.88 OGFRL1 (0.79) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852578 0.88 OGFRL1 (0.79) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL3058085 0.88 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL3058087 0.88 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852420 0.83 OGFRL1 (0.79) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852421 0.83 OGFRL1 (0.79) OGFRL1OPRM1OPRK1OPRD1OPRL1

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