SCHEMBL8572000

SCHEMBL8572000

COc1ccc(C2(CC#N)CCNC2=O)cc1OC1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.71
PDE4A P27815 19/20 0.71
PDE4C Q08493 19/20 0.71
PDE4D Q08499 19/20 0.71

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
SCHEMBL8571283 0.83 PDE4A (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL8570083 0.82 PDE4A (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL8569960 0.82 PDE4A (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL8571835 0.74 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL7321654 0.73 PDE4A (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL13526162 0.73 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL7401328 0.73 PDE4A (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL6585249 0.72 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL6584436 0.72 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL5495203 0.72 PDE4A (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed