SCHEMBL3822502

SCHEMBL3822502

Cc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C(CC(F)(F)F)S(=O)(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.53
CNR1 P21554 9/20 0.53
PPARA Q07869 1/20 0.51

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
SCHEMBL3818973 0.85 CNR1 (0.70) CNR2CNR1PPARA
SCHEMBL3822505 0.83 CNR1 (0.64) CNR2CNR1PPARA
SCHEMBL4885237 0.83 CNR1 (0.52) CNR2CNR1PPARA
SCHEMBL3833353 0.83 CNR2 (0.61) CNR2CNR1PPARA
SCHEMBL3814725 0.80 CNR1 (0.54) CNR2CNR1PPARA
SCHEMBL4599848 0.76 CNR1 (0.64) CNR2CNR1PPARA
SCHEMBL4612333 0.75 CNR1 (0.57) CNR2CNR1PPARA
SCHEMBL4611288 0.75 CNR2 (0.57) CNR2CNR1PPARA
SCHEMBL29838939 0.75 CNR2 (0.68) CNR2CNR1PPARA
SCHEMBL4599761 0.74 CNR1 (0.73) CNR2CNR1PPARA

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-1718617-B1 3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS ASTRAZENECA AB (SE) 2009-08-19 EP claimed