SCHEMBL21548032

SCHEMBL21548032

CNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 20/20 0.77
OPRM1 P35372 15/20 0.77
OPRK1 P41145 13/20 0.77
OPRD1 P41143 12/20 0.77

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
SCHEMBL854214 0.87 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880530 0.86 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL13221526 0.86 OGFRL1 (0.73) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17561622 0.86 OGFRL1 (0.81) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17561634 0.84 OGFRL1 (0.74) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL17561623 0.84 OGFRL1 (0.83) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21548061 0.84 OGFRL1 (0.74) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL16382227 0.84 OGFRL1 (0.77) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852491 0.84 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853229 0.84 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