SCHEMBL5794099

SCHEMBL5794099

COc1c(C(=O)Nc2c(Cl)cncc2Cl)ccc(OC(F)F)c1OCC1CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.65
PDE4B Q07343 17/20 0.65
PDE4A P27815 16/20 0.65
PDE4C Q08493 15/20 0.65
ABCB11 O95342 1/20 0.65

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
SCHEMBL5797196 0.90 PDE4B (0.52) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL5797194 0.89 PDE4B (0.52) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL5794189 0.88 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL4126031 0.83 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL5796349 0.82 PDE4B (0.69) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL2518447 0.82 PDE4D (0.66) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL4544198 0.82 PDE4B (0.71) PDE4DPDE4BPDE4APDE4CABCB11
Roflumilast SCHEMBL19158 0.79 PDE4B (1.00) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL6571717 0.79 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL2887750 0.79 PDE4B (0.92) PDE4DPDE4BPDE4APDE4CABCB11

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
WO-2006040645-A1 N-(3,5-DICHLOROPYRIDIN-4-YL)-2,4,5-ALKOXY AND 2,3,4-ALKOXY BENZAMIDE DERIVATIVES AS PDE-IV (PHOPHODIESTERASE TYPE-IV) INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES SUCH AS ASTHMA RANBAXY LABORATORIES LIMITED (IN) 2006-04-20 WO claimed
WO-2006040645-A1 N-(3,5-DICHLOROPYRIDIN-4-YL)-2,4,5-ALKOXY AND 2,3,4-ALKOXY BENZAMIDE DERIVATIVES AS PDE-IV (PHOPHODIESTERASE TYPE-IV) INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES SUCH AS ASTHMA RANBAXY LABORATORIES LIMITED (IN) 2006-04-20 WO disclosed