SCHEMBL880743

SCHEMBL880743

O=C(O)[C@@H]1CCCN1c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 1.00
OPRM1 P35372 15/20 0.84
OPRK1 P41145 15/20 0.84
OPRD1 P41143 11/20 0.84

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
SCHEMBL880323 1.00 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21547973 0.91 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17561625 0.91 OGFRL1 (0.84) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880324 0.91 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880831 0.89 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL13221966 0.87 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL15004397 0.85 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL15004400 0.85 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21548140 0.85 OGFRL1 (0.73) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17772094 0.84 OGFRL1 (0.89) OGFRL1OPRM1OPRK1OPRD1

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-2433936-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-2433937-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