SCHEMBL7319503

SCHEMBL7319503

CN(C(=O)CCCOc1cccc2c1N=C(NC(=O)OCc1ccccc1)N(CC(=O)NCc1ccccc1)C2)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.47
PDE4B Q07343 16/20 0.47
PDE4C Q08493 16/20 0.47
PDE4D Q08499 16/20 0.47
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7315017 0.92 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7308470 0.92 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316896 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7308500 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318198 0.87 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL7307542 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7315202 0.82 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316982 0.80 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7317876 0.78 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318061 0.77 PDE4A (0.64) 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