SCHEMBL7976353

SCHEMBL7976353

Cc1c[n+]([O-])ccc1NC(=O)c1ccc(OC(F)F)c2nc(C(F)(F)F)ccc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.52
PDE4A P27815 12/20 0.52
PDE4D Q08499 10/20 0.52
PDE4C Q08493 9/20 0.52
PDE11A Q9HCR9 1/20 0.47
LMNA P02545 1/20 0.39
GAA P10253 1/20 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
SCHEMBL7982474 0.90 PDE4A (0.43) PDE4BPDE4APDE4DPDE4CPDE11A
SCHEMBL7979649 0.90 PDE4B (0.65) PDE4BPDE4APDE4DPDE4CPDE11A
SCHEMBL7979774 0.89 PDE4A (0.56) PDE4BPDE4APDE4DPDE4CPDE11A
SCHEMBL7982355 0.81 PDE4B (0.61) PDE4BPDE4APDE4DPDE4CPDE11A
SCHEMBL7977878 0.81 PDE4A (0.48) PDE4BPDE4APDE4DPDE4CPDE11A
SCHEMBL7982342 0.80 PDE4D (0.64) PDE4BPDE4APDE4DPDE4CPDE11A
SCHEMBL7982313 0.80 PDE4B (0.70) PDE4BPDE4APDE4DPDE4CPDE11A
SCHEMBL7982349 0.77 PDE4B (0.78) PDE4BPDE4APDE4DPDE4CPDE11A
SCHEMBL7257920 0.74 PDE4B (0.47) PDE4BPDE4APDE4DPDE4CPDE11A
SCHEMBL13035036 0.74 PDE4B (0.71) PDE4BPDE4APDE4DPDE4CPDE11A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262070-B1 E.G., 8-METHOXY-2-TRIFLUOROMETHYLQUINOLINE-5-CARBOXYLIC ACID(3,5-DICHLORO-1-OXYPYRIDIN-4-YL)AMIDE; TREATMENT OF CHRONIC OBSTRUCTIVE AIRWAYS DISEASE DARWIN DISCOVERY LTD. (GB) 2001-07-17 US claimed