SCHEMBL7327112

SCHEMBL7327112

COc1ccc(C2(C#N)CCCC(=O)C2)cc1OC1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.80
PDE4B Q07343 20/20 0.80
PDE4C Q08493 20/20 0.80
PDE4D Q08499 20/20 0.80

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
SCHEMBL7172313 0.91 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL7426818 0.89 PDE4B (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL8557981 0.89 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL5495203 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL7762881 0.88 PDE4B (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL30683833 0.87 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL7211275 0.86 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL29798131 0.86 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321654 0.86 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL7417885 0.85 PDE4A (0.61) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193808-A1 Synergistic combination Nycomed GmbH (DE) 2010-06-09 EP disclosed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
EP-0722322-B1 COMPOUNDS, COMPOSITIONS AND TREATMENT OF ALLERGIES AND INFLAMMATION THEREWITH SMITHKLINE BEECHAM CORP (US) 2001-11-14 EP disclosed
EP-0722322-A4 COMPOUNDS, COMPOSITIONS AND TREATMENT OF ALLERGIES AND INFLAMMATION THEREWITH SMITHKLINE BEECHAM CORP (US) 1999-03-10 EP disclosed
US-5780667-A Compounds, compositions and treatment of allergies and inflammation therewith SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed
EP-0722322-A1 COMPOUNDS, COMPOSITIONS AND TREATMENT OF ALLERGIES AND INFLAMMATION THEREWITH SMITHKLINE BEECHAM CORPORATION (US) 1996-07-24 EP disclosed
WO-1995009837-A1 CYANO COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-04-13 WO disclosed
WO-1995009627-A1 COMPOUNDS, COMPOSITIONS AND TREATMENT OF ALLERGIES AND INFLAMMATION THEREWITH SMITHKLINE BEECHAM CORPORATION (US) 1995-04-13 WO disclosed
WO-1995009623-A1 ANTI-ALLERGIC, ANTI-INFLAMMATORY COMPOUNDS, COMPOSITIONS AND USES SMITHKLINE BEECHAM CORPORATION (US) 1995-04-13 WO disclosed