SCHEMBL880818

SCHEMBL880818

CCOC(OC)C(C)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.65
OPRM1 P35372 17/20 0.65
OPRK1 P41145 17/20 0.65
OPRD1 P41143 11/20 0.65

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
SCHEMBL16382226 0.90 OGFRL1 (0.68) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL16382227 0.84 OGFRL1 (0.77) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853200 0.82 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17874916 0.81 OGFRL1 (0.82) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852470 0.80 OGFRL1 (0.75) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21548061 0.80 OGFRL1 (0.74) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853914 0.79 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880599 0.79 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880619 0.79 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853238 0.79 OGFRL1 (0.78) 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 1 patent. 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