SCHEMBL7879337

SCHEMBL7879337

C#C[C@]1(c2ccc(OC)c(OC3CCCC3)c2)C[C@H](N2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.62
PDE4B Q07343 20/20 0.62
PDE4C Q08493 20/20 0.62
PDE4D Q08499 20/20 0.62

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
SCHEMBL7194954 1.00 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL7879317 1.00 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
Phthalimide SCHEMBL8054751 0.86 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL7792760 0.83 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL7792763 0.83 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL7181659 0.79 PDE4B (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL7177924 0.79 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL6172991 0.77 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL7375528 0.76 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL7426818 0.75 PDE4B (0.80) 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-6172118-B1 Compounds SMITHKLINE BEECHAM CORPORATION 2001-01-09 US disclosed