SCHEMBL852053

SCHEMBL852053

N#C[C@]1(c2ccc(OC(F)F)c(OCC3CC3)c2)CC[C@H](O)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.50
PDE4D Q08499 14/20 0.50
PDE4A P27815 12/20 0.50
PDE4C Q08493 12/20 0.50
ABCB11 O95342 1/20 0.41

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
SCHEMBL146817 1.00 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL146818 1.00 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL5184516 0.89 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7414607 0.89 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL7414604 0.89 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL7786887 0.89 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL6197797 0.88 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL6196613 0.88 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL6196611 0.88 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL5306792 0.87 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CABCB11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121615-B1 NAPADISYLATE SALT OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE AS AGONIST OF THE BETA 2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2012-03-28 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 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