SCHEMBL4680846

SCHEMBL4680846

O=C(NN1CCCCC1)Oc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1Cn1ncnn1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 4/20 0.48
CNR1 P21554 15/20 0.46
CNR2 P34972 3/20 0.42

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
SCHEMBL4680663 0.95 LIPE (0.44) LIPECNR1CNR2
SCHEMBL4684134 0.95 LIPE (0.44) LIPECNR1CNR2
SCHEMBL4684311 0.91 CNR1 (0.45) LIPECNR1CNR2
SCHEMBL4676543 0.89 CNR1 (0.40) LIPECNR1CNR2
SCHEMBL4684331 0.86 LIPE (0.54) LIPECNR1CNR2
SCHEMBL4678687 0.84 CNR1 (0.53) CNR1CNR2
SCHEMBL4680352 0.84 LIPE (0.47) LIPECNR1CNR2
SCHEMBL4679631 0.83 LIPE (0.47) LIPECNR1CNR2
SCHEMBL4677885 0.83 LIPE (0.47) LIPECNR1CNR2
SCHEMBL4684381 0.82 LIPE (0.50) LIPECNR1CNR2

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-1638953-B1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2008-08-27 EP claimed