SCHEMBL7786701

SCHEMBL7786701

COc1ccc(C2(C#N)CCC(OC)CC2)cc1OC1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.75
PDE4B Q07343 20/20 0.75
PDE4C Q08493 20/20 0.75
PDE4D Q08499 20/20 0.75

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
SCHEMBL7786696 1.00 PDE4A (0.75) PDE4APDE4BPDE4CPDE4D
SCHEMBL7786788 1.00 PDE4A (0.75) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321654 0.92 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL7792729 0.92 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL30683833 0.91 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL29798131 0.90 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL7211275 0.90 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL7793438 0.89 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL7786858 0.89 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL7411778 0.89 PDE4A (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636026-B1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORP (US) 2001-12-05 EP claimed
EP-0636026-B1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORP (US) 2001-12-05 EP disclosed
US-5605923-A Compounds useful for treating inflammatory diseases and inhibiting production of tumor necrosis factor SMITHKLINE BEECHAM CORPORATION (US) 1997-02-25 US disclosed