SCHEMBL8327154

SCHEMBL8327154

Cc1cn(CC2CCCCC2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.77
PDE4B Q07343 20/20 0.77
PDE4C Q08493 20/20 0.77
PDE4D Q08499 20/20 0.77

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
SCHEMBL1554109 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL1554722 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL1553431 0.78 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL8601549 0.78 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL8602314 0.77 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL1553529 0.77 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8601793 0.77 PDE4A (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL1554911 0.77 PDE4A (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL1553088 0.77 PDE4A (0.64) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL8601553 0.76 PDE4A (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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