SCHEMBL4676935

SCHEMBL4676935

CC(C)(C)OC(=O)Oc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)NC1CCC(F)(F)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.62
PDE4B Q07343 7/20 0.41
PDE4C Q08493 7/20 0.41
PDE4D Q08499 4/20 0.41
NR1H4 Q96RI1 1/20 0.41
CNR2 P34972 1/20 0.39
DYRK1A Q13627 2/20 0.37
GSK3B P49841 1/20 0.37
PDE4A P27815 6/20 0.36

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
SCHEMBL4681163 0.87 CNR1 (0.67) CNR1PDE4BPDE4CPDE4DNR1H4
SCHEMBL4684187 0.83 CNR1 (0.42) CNR1CNR2
SCHEMBL4676879 0.80 CNR1 (0.50) CNR1CNR2
SCHEMBL4680943 0.80 CNR1 (0.50) CNR1CNR2
SCHEMBL4684112 0.80 CNR1 (0.70) CNR1PDE4BPDE4CPDE4DNR1H4
SCHEMBL4679409 0.77 CNR1 (1.00) CNR1PDE4BPDE4CPDE4DNR1H4
SCHEMBL28759848 0.76 CNR1 (0.53) CNR1PDE4BPDE4CPDE4DNR1H4
SCHEMBL4681583 0.75 CNR1 (0.53) CNR1NR1H4CNR2
SCHEMBL4681802 0.75 CNR1 (0.49) CNR1PDE4BPDE4CPDE4DCNR2
SCHEMBL4679252 0.75 HTT (0.44) CNR1

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