SCHEMBL8640781

SCHEMBL8640781

CCCOc1cc(C(CC#N)N2C(=O)Cc3ccccc3C2=O)ccc1OC

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.67
PDE4A P27815 12/20 0.67
PDE4C Q08493 12/20 0.67
PDE4D Q08499 12/20 0.67
TNF P01375 8/20 0.52

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
SCHEMBL8637015 0.93 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL8643869 0.92 PDE4A (0.76) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL8640250 0.89 PDE4A (0.84) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL6553133 0.80 PDE4A (1.00) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL5905090 0.79 PDE4A (1.00) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL8326339 0.77 PDE4A (0.71) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL8357143 0.76 PDE4A (0.69) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL5905223 0.75 PDE4A (0.89) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL6555476 0.73 PDE4B (0.80) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL2992015 0.73 PDE4B (0.80) PDE4BPDE4APDE4CPDE4DTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728845-A TUMOR NECROSIS FACTOR AND PHOSPHODIESTERASE INHIBITORS CELGENE CORPORATION (US) 1998-03-17 US claimed