SCHEMBL21548075

SCHEMBL21548075

COC(=O)C1(N)CCN(c2nc3ccccc3n([C@H]3CC4CC[C@@H](C3)N4C3CCCCCCC3)c2=O)C1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.81
OPRK1 P41145 18/20 0.81
OPRM1 P35372 17/20 0.81
OPRD1 P41143 13/20 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
SCHEMBL854500 1.00 OGFRL1 (0.81) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL854499 1.00 OGFRL1 (0.81) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852051 0.90 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852052 0.90 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852585 0.89 OGFRL1 (0.82) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL21547983 0.89 OGFRL1 (0.82) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852584 0.89 OGFRL1 (0.82) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852272 0.87 OGFRL1 (0.80) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852271 0.87 OGFRL1 (0.80) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL853095 0.86 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1

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