SCHEMBL7979649

SCHEMBL7979649

COc1ccc(C(=O)Nc2cc[n+]([O-])cc2C)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.65
PDE4A P27815 9/20 0.65
PDE4C Q08493 9/20 0.65
PDE4D Q08499 9/20 0.65
PDE11A Q9HCR9 2/20 0.59
PDE10A Q9Y233 1/20 0.42
LMNA P02545 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
SCHEMBL7976353 0.90 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL7982313 0.90 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL7982349 0.87 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL13035036 0.84 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE11A
Sch-351591 SCHEMBL157018 0.81 PDE4A (0.80) PDE4BPDE4APDE4CPDE4DPDE11A
Sch-351591 SCHEMBL29378661 0.81 PDE4A (0.80) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL7982331 0.81 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL7982474 0.79 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL7979774 0.79 PDE4A (0.56) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL8290205 0.77 PDE4A (0.80) PDE4BPDE4APDE4CPDE4DPDE11A

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