SCHEMBL8360415

SCHEMBL8360415

COc1ccc(C2(C#N)CCC(=N)C(C(N)=O)C2)cc1OC1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.67
PDE4B Q07343 20/20 0.67
PDE4C Q08493 20/20 0.67
PDE4D Q08499 20/20 0.67

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
SCHEMBL8357212 0.85 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL5703617 0.84 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL7863442 0.83 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL7863418 0.83 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL7426106 0.83 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL6545912 0.83 PDE4B (0.86) PDE4APDE4BPDE4CPDE4D
SCHEMBL6545916 0.83 PDE4B (0.86) PDE4APDE4BPDE4CPDE4D
SCHEMBL5495203 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321654 0.80 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
Bicarbonate SCHEMBL4603657 0.79 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D

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-2004016596-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS PDE-IV INHIBITORS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS LIMITED (US) 2004-02-26 WO disclosed