SCHEMBL5776932

SCHEMBL5776932

CCC(c1cc(-c2cccc(-c3ccc(OC(F)F)nc3-c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.52
PDE4B Q07343 18/20 0.52
PDE4C Q08493 18/20 0.52
PDE4D Q08499 18/20 0.52
CYP2C9 P11712 12/20 0.46

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
SCHEMBL4207463 0.82 CYP2C9 (0.70) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5256112 0.80 CYP2C9 (0.60) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5780645 0.78 CYP2C9 (0.47) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5779616 0.75 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5780648 0.75 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4039723 0.74 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5777032 0.73 CYP2C9 (0.52) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5779618 0.72 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5257187 0.72 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4211371 0.72 CYP2C9 (0.75) PDE4APDE4BPDE4CPDE4DCYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635829-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 EP claimed
WO-2004096220-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-11-11 WO claimed
EP-1635829-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 EP disclosed
WO-2004096220-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-11-11 WO disclosed