SCHEMBL880546

SCHEMBL880546

CCC1(N2[C@@H]3CCC[C@H]2C[C@@H](n2c(=O)c(C(=O)O)nc4ccccc42)C3)CCCCCCC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.78
OPRK1 P41145 17/20 0.78
OPRM1 P35372 16/20 0.73
OPRD1 P41143 11/20 0.67
OPRL1 P41146 3/20 0.67

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
SCHEMBL880399 0.87 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL10290872 0.87 OGFRL1 (0.66) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL854042 0.85 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL19836645 0.82 OGFRL1 (0.78) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL17807896 0.81 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL854049 0.81 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL852371 0.81 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL852370 0.81 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL854048 0.81 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL852144 0.81 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2537844-A1 Substituted-quinoxaline-type bridged-piperidine compounds and the uses thereof Purdue Pharma L.P. (US) 2012-12-26 EP disclosed
EP-2324013-B1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2012-09-19 EP disclosed
EP-2433937-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
WO-2010010458-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2010-01-28 WO disclosed