SCHEMBL7310767

SCHEMBL7310767

CC(=O)NC1=Nc2cc(OCCC(C(N)=O)N3CCCC3)ccc2CN1CC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.43
PDE4B Q07343 17/20 0.43
PDE4C Q08493 17/20 0.43
PDE4D Q08499 17/20 0.43
MAPK1 P28482 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL7316975 0.91 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310459 0.91 PDE4A (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL7305497 0.90 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DSLC6A2
SCHEMBL7306766 0.88 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL7311017 0.87 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316523 0.84 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310769 0.82 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7321158 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316039 0.81 PDE4A (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL7312710 0.79 PDE4A (0.42) 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