SCHEMBL4680979

SCHEMBL4680979

CCCCOC(=O)Oc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)NN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.49
CNR2 P34972 3/20 0.45
LIPE Q05469 1/20 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
SCHEMBL4676429 0.87 CNR1 (0.53) CNR1CNR2
SCHEMBL4678418 0.84 CNR1 (0.57) CNR1CNR2
SCHEMBL4681729 0.83 CNR1 (0.55) CNR1CNR2
SCHEMBL4681583 0.83 CNR1 (0.53) CNR1CNR2
SCHEMBL4677627 0.80 CNR1 (0.52) CNR1CNR2
SCHEMBL4676765 0.80 CNR1 (0.50) CNR1CNR2
SCHEMBL4683481 0.80 CNR1 (0.50) CNR1CNR2
SCHEMBL4677739 0.75 LIPE (0.52) CNR1CNR2LIPE
SCHEMBL4682588 0.74 CNR1 (0.65) CNR1CNR2
SCHEMBL4684187 0.74 CNR1 (0.42) CNR1CNR2

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