SCHEMBL21548086

SCHEMBL21548086

COC(=O)C1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CCC3N4C3CCCCCCC3)c2=O)CC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.70
OPRM1 P35372 18/20 0.70
OPRK1 P41145 18/20 0.70
OPRD1 P41143 14/20 0.70

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
SCHEMBL852391 0.90 OGFRL1 (0.79) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852390 0.90 OGFRL1 (0.79) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880591 0.83 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21548078 0.80 OGFRL1 (0.82) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17561630 0.80 OGFRL1 (0.84) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853503 0.79 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853502 0.79 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL13221576 0.78 OGFRL1 (0.68) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853021 0.78 OGFRL1 (0.89) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21548081 0.77 OGFRL1 (0.71) 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-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed