SCHEMBL7370525

SCHEMBL7370525

COc1ccc(-c2ccc(NS(=O)(=O)C(F)(F)F)cc2)cc1OC1CC2CCC1C2

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.60
PDE4A P27815 12/20 0.60
PDE4C Q08493 12/20 0.60
PDE4D Q08499 12/20 0.60
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
BRS3 P32247 2/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL7368338 0.77 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7369703 0.75 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7359192 0.71 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7358558 0.71 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5704516 0.70 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL2978829 0.70 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7357311 0.69 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7360400 0.69 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7973484 0.69 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7359776 0.69 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672031-A1 CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS PFIZER INC. (US) 1995-09-20 EP disclosed
WO-1994012461-A1 CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS PFIZER INC. (US) 1994-06-09 WO disclosed