SCHEMBL7316575

SCHEMBL7316575

CCOC(=O)NC1=Nc2cc(OCCC(C(N)=O)C3CNCCO3)ccc2CN1CC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.39
PDE4B Q07343 15/20 0.39
PDE4C Q08493 15/20 0.39
PDE4D Q08499 15/20 0.39
REN P00797 2/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL7321533 0.93 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320666 0.92 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DREN
SCHEMBL7320563 0.91 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DREN
SCHEMBL7318649 0.88 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316937 0.84 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DREN
SCHEMBL7321092 0.83 PDE4A (0.32) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317847 0.80 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL7307653 0.74 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316580 0.73 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310459 0.73 PDE4A (0.41) 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