SCHEMBL21548078

SCHEMBL21548078

O=C(O)CC1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CCC3N4C3CCCCCCC3)c2=O)C1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.82
OPRM1 P35372 17/20 0.82
OPRK1 P41145 17/20 0.82
OPRD1 P41143 13/20 0.82

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
SCHEMBL853022 0.90 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853023 0.90 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852257 0.85 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21548057 0.85 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852256 0.85 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852501 0.83 OGFRL1 (0.77) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852294 0.80 OGFRL1 (0.81) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852295 0.80 OGFRL1 (0.81) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21548086 0.80 OGFRL1 (0.70) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17813596 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-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed