SCHEMBL7309643

SCHEMBL7309643

CCCCCCN(CCCCCC)C(=O)CCCOc1ccc2c(c1)CN(CC(=O)OC1CCCC1)C(NC(=O)N(C)C)=N2

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.59
PDE4B Q07343 19/20 0.59
PDE4C Q08493 19/20 0.59
PDE4D Q08499 19/20 0.59
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45

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
SCHEMBL7307528 0.92 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7308708 0.91 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311928 0.87 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311452 0.87 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL7309556 0.87 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL7312721 0.87 PDE4A (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL7320933 0.86 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10649023 0.85 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL7313160 0.83 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307264 0.83 PDE4A (0.69) 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