SCHEMBL21548074

SCHEMBL21548074

CC(C)(C)OC(=O)CNCCNc1nc2ccccc2n([C@@H]2C[C@@H]3CCC2N3C2CCCCCCC2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.64
OPRM1 P35372 17/20 0.64
OPRK1 P41145 17/20 0.64
OPRD1 P41143 7/20 0.57

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
SCHEMBL852089 0.91 OGFRL1 (0.77) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852088 0.91 OGFRL1 (0.77) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21548065 0.83 OGFRL1 (0.61) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21548079 0.82 OGFRL1 (0.70) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853088 0.81 OGFRL1 (0.79) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853089 0.81 OGFRL1 (0.79) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853920 0.80 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853919 0.80 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853283 0.79 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853284 0.79 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-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed