SCHEMBL8570355

SCHEMBL8570355

COc1ccc(C(C#N)CNC(N)=O)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.49
PDE4B Q07343 10/20 0.49
PDE4C Q08493 8/20 0.49
PDE4D Q08499 8/20 0.49
POLB P06746 1/20 0.47
PDE5A O76074 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46

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
SCHEMBL9277926 0.92 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8573971 0.90 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL9276133 0.90 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7353707 0.87 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7361167 0.86 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL30530004 0.85 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7363289 0.85 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7352136 0.83 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL8574005 0.83 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL7356142 0.83 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DPDE5A

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-5710180-A TREATING ALLERGIC AND INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1998-01-20 US disclosed