SCHEMBL880367

SCHEMBL880367

CC[C@@H]1C[C@H](n2c(=O)c(C(=O)O)nc3ccccc32)CCN1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.65
OPRM1 P35372 16/20 0.65
OPRK1 P41145 16/20 0.65
OPRD1 P41143 10/20 0.65
OPRL1 P41146 4/20 0.55

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
SCHEMBL852029 0.83 OGFRL1 (0.74) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL16182270 0.79 OGFRL1 (0.60) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL13221533 0.79 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL853494 0.79 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL13221535 0.79 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL21206968 0.79 OGFRL1 (0.77) OGFRL1OPRM1OPRK1OPRD1OPRL1
Hydrochloric Acid SCHEMBL861105 0.78 OGFRL1 (0.98) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL13221775 0.77 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL18290533 0.76 OGFRL1 (0.75) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL14791375 0.75 OGFRL1 (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433935-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-2433936-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO disclosed