SCHEMBL7787765

SCHEMBL7787765

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

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.66
PDE4B Q07343 18/20 0.66
PDE4C Q08493 18/20 0.66
PDE4D Q08499 18/20 0.66
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51

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
SCHEMBL7787761 1.00 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DSLC6A4
SCHEMBL8569760 1.00 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DSLC6A4
SCHEMBL8057577 0.91 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL7178035 0.91 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL8041955 0.91 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL8651739 0.89 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL8649228 0.89 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL8651892 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL8651741 0.89 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL8651894 0.89 PDE4A (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722322-B1 COMPOUNDS, COMPOSITIONS AND TREATMENT OF ALLERGIES AND INFLAMMATION THEREWITH SMITHKLINE BEECHAM CORP (US) 2001-11-14 EP claimed
US-5780667-A Compounds, compositions and treatment of allergies and inflammation therewith SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US claimed
EP-0722322-B1 COMPOUNDS, COMPOSITIONS AND TREATMENT OF ALLERGIES AND INFLAMMATION THEREWITH SMITHKLINE BEECHAM CORP (US) 2001-11-14 EP disclosed
US-5780667-A Compounds, compositions and treatment of allergies and inflammation therewith SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed