SCHEMBL13904229

SCHEMBL13904229

O=C(O)N1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.87
OPRM1 P35372 16/20 0.87
OPRK1 P41145 16/20 0.87
OPRD1 P41143 12/20 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
SCHEMBL851990 0.93 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853010 0.91 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL3950432 0.89 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17772094 0.87 OGFRL1 (0.89) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852913 0.87 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853481 0.86 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL3058085 0.85 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL3058087 0.85 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853000 0.85 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852407 0.85 OGFRL1 (1.00) 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
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO disclosed