SCHEMBL854261

SCHEMBL854261

CC(C)(C)OC(=O)N1CC2CN(C3Nc4ccccc4N(C4CCN(C5(C(=O)O)CCCCCCC5)CC4)C3=O)CC2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.40
OGFRL1 Q5TC84 5/20 0.40
OPRK1 P41145 5/20 0.40
OPRD1 P41143 5/20 0.40
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
OPRL1 P41146 3/20 0.35
GPR119 Q8TDV5 1/20 0.35
MAPK8 P45983 1/20 0.33
STS P08842 1/20 0.33
USP30 Q70CQ3 1/20 0.33
LIPE Q05469 1/20 0.33
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33
BACE1 P56817 1/20 0.33
KDM1A O60341 1/20 0.33
MAPK1 P28482 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL853690 0.84 OGFRL1 (0.44) OPRM1OGFRL1OPRK1OPRD1OPRL1
SCHEMBL16714152 0.78 OPRM1 (0.38) OPRM1OGFRL1OPRK1OPRD1OPRL1
SCHEMBL852496 0.77 OGFRL1 (0.53) OPRM1OGFRL1OPRK1OPRD1OPRL1
SCHEMBL852995 0.72 OGFRL1 (0.40) OPRM1OGFRL1OPRK1OPRD1JAK2
SCHEMBL10289955 0.72 OGFRL1 (0.74) OPRM1OGFRL1OPRK1OPRD1OPRL1
SCHEMBL880915 0.72 OGFRL1 (0.74) OPRM1OGFRL1OPRK1OPRD1OPRL1
SCHEMBL852258 0.72 JAK2 (0.38) OPRM1OGFRL1OPRK1OPRD1JAK2
SCHEMBL854436 0.68 OPRM1 (0.40) OPRM1OGFRL1OPRK1OPRD1OPRL1
SCHEMBL880907 0.65 OGFRL1 (0.73) OPRM1OGFRL1OPRK1OPRD1OPRL1
SCHEMBL10062597 0.65 CTSD (0.47) OPRM1OGFRL1OPRK1OPRD1OPRL1

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-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-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
EP-2086958-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2009-08-12 EP disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO disclosed