SCHEMBL7312385

SCHEMBL7312385

CN(C(=O)CCCOc1ccc2c(c1)CN(CC(=O)c1ccccc1)C(NC(=O)NC1CCCCC1)=N2)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.66
PDE4B Q07343 18/20 0.66
PDE4C Q08493 18/20 0.66
PDE4D Q08499 18/20 0.66
PDE3B Q13370 2/20 0.59
PDE3A Q14432 2/20 0.59

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
SCHEMBL7321206 0.89 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313490 0.89 PDE4A (0.84) PDE4APDE4BPDE4CPDE4D
SCHEMBL7312624 0.88 PDE4A (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321210 0.88 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL7306415 0.86 PDE4A (0.75) PDE4APDE4BPDE4CPDE4D
SCHEMBL7317132 0.85 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316496 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL7312009 0.84 PDE4A (0.84) PDE4APDE4BPDE4CPDE4D
SCHEMBL7319469 0.83 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7346842 0.83 PDE4A (0.66) 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