SCHEMBL8313810

SCHEMBL8313810

C=C(O)C1CC1c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cc1C

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.74
PDE4B Q07343 15/20 0.74
PDE4C Q08493 15/20 0.74
PDE4D Q08499 15/20 0.74
KCNH2 Q12809 5/20 0.67
CYP2C9 P11712 1/20 0.61

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
SCHEMBL4716894 0.94 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL4716891 0.94 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL6249049 0.94 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL8313995 0.89 PDE4A (0.88) PDE4APDE4BPDE4CPDE4DKCNH2
Bicarbonate SCHEMBL4719348 0.88 KCNH2 (0.74) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL8319498 0.87 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL4717053 0.85 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL20755890 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL4714294 0.85 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL6248001 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKCNH2

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
WO-2004048374-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO disclosed