SCHEMBL5202079

SCHEMBL5202079

CC(C)(C)OC(=O)ON1CCN(c2nc(N3CCCC3)c3nc(Cl)c(NCc4ccccc4)nc3n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.71
PDE4B Q07343 13/20 0.71
PDE4C Q08493 13/20 0.71
PDE4D Q08499 13/20 0.71
ACHE P22303 1/20 0.42
HTR6 P50406 1/20 0.39
CTNNB1 P35222 2/20 0.37
TCF7L2 Q9NQB0 2/20 0.37
HTR3A P46098 1/20 0.37
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL5201778 0.89 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL3534915 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL5203379 0.88 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL5201775 0.83 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL3533473 0.79 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL29824397 0.78 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL292710 0.78 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL291798 0.77 PDE4A (0.96) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL3537659 0.77 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL291770 0.73 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DHRH4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819707-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-08-22 EP disclosed
WO-2006058867-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-08 WO disclosed