SCHEMBL7416563

SCHEMBL7416563

NCC1(c2ccc(OC(F)F)c(OC(F)F)c2)CCC(=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.49
PDE4B Q07343 5/20 0.46
PDE4A P27815 5/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
SLC6A3 Q01959 13/20 0.39
SLC6A2 P23975 2/20 0.36

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
SCHEMBL7460382 0.83 PDE4A (0.44) SLC6A4PDE4BPDE4APDE4CPDE4D
SCHEMBL7866876 0.81 SLC6A4 (0.47) SLC6A4PDE4BPDE4APDE4CPDE4D
SCHEMBL26921463 0.80 SLC6A4 (0.58) SLC6A4PDE4BPDE4APDE4CPDE4D
SCHEMBL7419178 0.76 PDE4B (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL6546375 0.75 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL7415768 0.75 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL7425652 0.69 PDE4A (0.69) PDE4BPDE4APDE4CPDE4D
SCHEMBL5306792 0.66 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL31062122 0.66 CASP1 (0.54) SLC6A4SLC6A3SLC6A2
SCHEMBL11817961 0.66 PDE4A (0.75) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636025-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-07-18 EP claimed
EP-0636025-A4 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES. 1995-02-22 EP claimed
EP-0636025-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-02-01 EP claimed
WO-1993019750-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO claimed
EP-0636025-A4 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES. 1995-02-22 EP disclosed
EP-0636025-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-02-01 EP disclosed
WO-1993019750-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed