SCHEMBL3249453

SCHEMBL3249453

COc1ccc(N(Cc2cnco2)c2cccc(C(=O)OC(=O)c3ccc(N(Cc4cncs4)c4ccc(OC)c(SC)c4)cc3)c2)cc1OC1CCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.34
PDE4D Q08499 10/20 0.34
PDE4A P27815 8/20 0.34
PDE4C Q08493 8/20 0.34
PDE5A O76074 3/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31

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
SCHEMBL3249447 0.94 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL3126147 0.81 PDE4B (0.39) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL3201072 0.80 PDE4B (0.53) PDE4BPDE4DPDE4APDE4C
SCHEMBL3193323 0.80 PDE4B (0.41) PDE4BPDE4DPDE4APDE4C
SCHEMBL3118118 0.79 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL3202579 0.79 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL3131319 0.78 PDE4B (0.51) PDE4BPDE4DPDE4APDE4C
SCHEMBL3211522 0.78 PDE4B (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL3209523 0.77 PDE4B (0.50) PDE4BPDE4DPDE4APDE4C
SCHEMBL3215150 0.77 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CPDE5A

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed