SCHEMBL880768

SCHEMBL880768

O=C(Nc1ccc(=O)[nH]c1)c1nc2ccccc2n(C2CCN(C3CCCCCC3)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 16/20 1.00
OPRK1 P41145 16/20 1.00
OPRD1 P41143 15/20 1.00

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
SCHEMBL13221996 1.00 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853944 0.87 OPRM1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853749 0.87 OPRM1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853750 0.87 OPRM1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL10269986 0.83 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880822 0.83 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL13221994 0.82 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880524 0.81 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL14791269 0.80 OGFRL1 (0.79) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL14791276 0.80 OGFRL1 (0.79) 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-2433935-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed