SCHEMBL8313995

SCHEMBL8313995

C=C(O)C1CC1c1ccccc1-c1cccc(-n2cc(C(=O)NC3CC3)c(=O)c3cccnc32)c1

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.88
PDE4B Q07343 16/20 0.88
PDE4D Q08499 16/20 0.88
PDE4C Q08493 15/20 0.88
KCNH2 Q12809 4/20 0.65

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
SCHEMBL4791186 0.94 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL4791185 0.94 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL8313810 0.89 PDE4A (0.74) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL29369967 0.84 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL20755890 0.84 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL508647 0.84 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL6248001 0.84 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL4713975 0.84 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL508648 0.84 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL4716894 0.82 PDE4A (0.83) PDE4APDE4BPDE4DPDE4CKCNH2

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