SCHEMBL3124805

SCHEMBL3124805

COc1ccc(C(CC(=O)NN=C=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)cc1OC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.59
PDE4B Q07343 13/20 0.59
PDE4C Q08493 13/20 0.59
PDE4D Q08499 13/20 0.59
HTR2B P41595 1/20 0.54
TNF P01375 9/20 0.49

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
SCHEMBL3131810 0.90 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4855594 0.90 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DHTR2B
SCHEMBL536975 0.90 PDE4B (0.68) PDE4APDE4BPDE4CPDE4DHTR2B
SCHEMBL23392615 0.88 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DHTR2B
SCHEMBL3127985 0.88 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DHTR2B
SCHEMBL4919811 0.88 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DHTR2B
SCHEMBL4851023 0.87 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DHTR2B
SCHEMBL3124802 0.87 PDE4B (0.61) PDE4APDE4BPDE4CPDE4DHTR2B
SCHEMBL8267926 0.86 PDE4B (0.64) PDE4APDE4BPDE4CPDE4DHTR2B
SCHEMBL8271314 0.85 PDE4B (0.76) PDE4APDE4BPDE4CPDE4DHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1510518-B1 Substituted 1,3,4-oxadiazoles for use in the treatement or prophylaxis of diseases CELGENE CORP (US) 2010-12-01 EP disclosed
EP-1462449-B9 Substituted 1,3,4-oxadiazoles and a method of reducing TNF-alpha levels CELGENE CORP (US) 2010-03-10 EP disclosed
EP-1462449-B1 Substituted 1,3,4-oxadiazoles and a method of reducing TNF-alpha levels CELGENE CORP (US) 2009-09-02 EP disclosed
EP-1242413-B1 SUBSTITUTED 1,3,4-OXADIAZOLES AND A METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORP (US) 2004-11-17 EP disclosed
EP-1462449-A1 Substituted 1,3,4-oxadiazoles and a method of reducing TNF-alpha levels CELGENE CORPORATION (US) 2004-09-29 EP disclosed
US-6326388-B1 ANTIINFLAMMATORY AGENTS CELGENE CORPORATION 2001-12-04 US disclosed