SCHEMBL7314219

SCHEMBL7314219

CCCCCCN(C)C(=O)CCCOc1ccc2c(c1)CN(CC(=O)OC(C)(C)C)C(NC(C)=O)=N2

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.62
PDE4B Q07343 18/20 0.62
PDE4C Q08493 18/20 0.62
PDE4D Q08499 18/20 0.62
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44

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
SCHEMBL7317967 0.93 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318044 0.92 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7308427 0.90 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317888 0.88 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL7312210 0.88 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL7309217 0.83 PDE4A (0.84) PDE4APDE4BPDE4CPDE4D
SCHEMBL7307425 0.83 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7308453 0.82 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313511 0.82 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311034 0.81 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE3B

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