SCHEMBL8326534

SCHEMBL8326534

CCOC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.63
PDE4A P27815 15/20 0.63
PDE4C Q08493 15/20 0.63
PDE4D Q08499 15/20 0.63
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL13350287 1.00 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL6546827 0.91 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546830 0.91 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546876 0.91 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D
SCHEMBL7855467 0.89 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL7855470 0.89 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546903 0.88 PDE4B (0.76) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546469 0.88 PDE4B (0.76) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546476 0.88 PDE4B (0.76) PDE4BPDE4APDE4CPDE4D
SCHEMBL6817819 0.87 PDE4B (0.70) PDE4BPDE4APDE4CPDE4D

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