SCHEMBL7320933

SCHEMBL7320933

CCCCCN(CCCCC)C(=O)CCCOc1ccc2c(c1)CN(CC(=O)OCC(C)C)C(NC(=O)N(C)C)=N2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.56
PDE4B Q07343 19/20 0.56
PDE4C Q08493 19/20 0.56
PDE4D Q08499 19/20 0.56
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL7314906 0.92 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL7315440 0.88 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316988 0.87 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7312337 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL7309643 0.86 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7312744 0.85 PDE4A (0.75) PDE4APDE4BPDE4CPDE4D
SCHEMBL7307425 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10651796 0.81 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL10650499 0.79 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7308708 0.79 PDE4A (0.61) 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