SCHEMBL7186952

SCHEMBL7186952

COc1ccc(C2(C#Cc3ccccc3)CC(CN)C2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.52
PDE4B Q07343 20/20 0.52
PDE4C Q08493 20/20 0.52
PDE4D Q08499 20/20 0.52

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
SCHEMBL7197259 1.00 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7186953 1.00 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7886295 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7874339 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7196891 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7180069 0.88 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7357075 0.84 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL7200562 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7177830 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7874292 0.84 PDE4A (0.52) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071645-A4 PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-04-02 EP claimed
EP-1071645-A1 PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-31 EP claimed
US-6172118-B1 Compounds SMITHKLINE BEECHAM CORPORATION 2001-01-09 US claimed
WO-1999052847-A1 PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 WO claimed
EP-1071645-A4 PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-04-02 EP disclosed
EP-1071645-A1 PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-31 EP disclosed
US-6172118-B1 Compounds SMITHKLINE BEECHAM CORPORATION 2001-01-09 US disclosed
WO-1999052847-A1 PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 WO disclosed