SCHEMBL7204435

SCHEMBL7204435

COc1ccc(C2(C#N)CC(N)C2)cc1OC1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.68
PDE4B Q07343 20/20 0.68
PDE4C Q08493 20/20 0.68
PDE4D Q08499 20/20 0.68

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
SCHEMBL8057547 1.00 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL8053491 1.00 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL7330133 0.91 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL7330138 0.91 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL7331093 0.91 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL7360390 0.90 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL7786858 0.89 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL7793256 0.89 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL7411778 0.89 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL7200494 0.89 PDE4A (0.69) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6118017-A Substituted-(3-cyclopentyloxy-4-methoxyphenyl)-3-phenylcyanocyclobutan-1-one SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US claimed
EP-1071646-A4 PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-04-02 EP disclosed
EP-1071646-A1 PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-31 EP disclosed
US-6118017-A Substituted-(3-cyclopentyloxy-4-methoxyphenyl)-3-phenylcyanocyclobutan-1-one SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
WO-1999052848-A1 PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 WO disclosed