SCHEMBL7795024

SCHEMBL7795024

COc1ccc([C@]2(C#N)CC[C@H](NC(C)=O)CC2)cc1OC1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.73
PDE4B Q07343 19/20 0.73
PDE4C Q08493 19/20 0.73
PDE4D Q08499 19/20 0.73

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
SCHEMBL7417063 1.00 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL7796186 0.92 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL7796189 0.92 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL8920950 0.90 PDE4B (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL7415834 0.90 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL7792668 0.90 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL8574868 0.89 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL8573925 0.89 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL7328117 0.89 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL7328122 0.89 PDE4A (0.63) 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