SCHEMBL7786677

SCHEMBL7786677

COc1ccc([C@]2(C#N)CC[C@H](O)CC2)cc1OCC1CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.64
PDE4A P27815 16/20 0.64
PDE4C Q08493 16/20 0.64
PDE4D Q08499 16/20 0.64

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
SCHEMBL7786662 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL7409643 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL8879699 0.90 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL7318584 0.90 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL7786846 0.88 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL7472625 0.88 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL7793134 0.88 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
Ammonia Solution, Strong SCHEMBL7390267 0.88 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL7796238 0.88 PDE4B (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL7796239 0.88 PDE4B (0.55) 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 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