SCHEMBL17772094

SCHEMBL17772094

O=C(O)C1CN(c2nc3ccccc3n(C3CCN(C4CCCCCCCCC4)CC3)c2=O)C1

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.89
OPRM1 P35372 15/20 0.75
OPRK1 P41145 15/20 0.75
OPRD1 P41143 11/20 0.75

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
SCHEMBL852920 0.94 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880600 0.92 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL13904229 0.87 OGFRL1 (0.87) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880810 0.86 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL851990 0.86 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880605 0.86 OGFRL1 (0.83) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17561621 0.86 OGFRL1 (0.83) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL3950432 0.85 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL15004391 0.84 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL15004503 0.84 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
EP-2797912-B1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA LP (US) 2016-05-25 EP disclosed