SCHEMBL7318859

SCHEMBL7318859

CNC(=O)C(CCOc1ccc2c(c1)N=C(NC(C)=O)N(CC(=O)OCC(C)(C)C)C2)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42

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
SCHEMBL7317354 0.92 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321157 0.92 PDE4A (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316451 0.89 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7317012 0.87 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL7318848 0.78 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7318855 0.78 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310767 0.78 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL10648118 0.76 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL7311017 0.74 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL7305497 0.74 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D

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
US-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed