SCHEMBL6693901

SCHEMBL6693901

CCOc1ccc(C(CC(N)=O)N2C(=O)c3cccc(N)c3C2=O)cc1OCC

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNF P01375 5/20 0.80
PDE4A P27815 16/20 0.74
PDE4B Q07343 16/20 0.74
PDE4C Q08493 16/20 0.74
PDE4D Q08499 16/20 0.74
HTR2B P41595 1/20 0.56

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
SCHEMBL6691669 0.92 PDE4A (0.71) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL537289 0.90 PDE4A (0.76) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL537150 0.90 PDE4A (0.76) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL5905074 0.89 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL23000612 0.89 PDE4A (0.80) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21494487 0.89 PDE4A (0.80) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21494489 0.89 PDE4A (0.80) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6691613 0.89 TNF (0.84) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21494520 0.88 TNF (0.87) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21494496 0.88 TNF (0.87) TNFPDE4APDE4BPDE4CPDE4D

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-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP claimed
EP-0706521-B1 IMIDES AS TNF ALPHA INHIBITORS CELGENE CORP (US) 2002-10-02 EP claimed