SCHEMBL21548091

SCHEMBL21548091

O=C(O)C(CO)NCCNc1nc2ccccc2n([C@H]2CC3CC[C@@H](C2)N3C2CCCCCCC2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 1.00
OPRK1 P41145 17/20 1.00
OPRM1 P35372 16/20 1.00
OPRD1 P41143 7/20 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
SCHEMBL853349 1.00 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL853350 1.00 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL853534 0.89 OGFRL1 (0.80) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL853535 0.89 OGFRL1 (0.80) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL13221639 0.89 OGFRL1 (0.80) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL21548088 0.89 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852858 0.89 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL854636 0.89 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852165 0.89 OGFRL1 (1.00) OGFRL1OPRK1OPRM1OPRD1
SCHEMBL852166 0.89 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