SCHEMBL7362755

SCHEMBL7362755

CN1CCCCC1CCn1nc(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.60
PDE4D Q08499 7/20 0.59
PDE4C Q08493 4/20 0.59
PDE4B Q07343 2/20 0.59
CHRNB4 P30926 3/20 0.46
CHRNA3 P32297 3/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB3 Q05901 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
ADRA1A P35348 3/20 0.44
HRH1 P35367 3/20 0.44
ADRA1B P35368 3/20 0.44
HRH3 Q9Y5N1 3/20 0.44
KCNH2 Q12809 2/20 0.44
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CHRNA4 P43681 1/20 0.40
ADRA2A P08913 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
SCHEMBL7370144 0.86 PDE4A (0.65) PDE4APDE4DPDE4CPDE4BADRA1A
SCHEMBL7361971 0.85 PDE4A (0.60) PDE4APDE4DPDE4CPDE4BCHRNB4
SCHEMBL7360388 0.83 PDE4D (0.66) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL6636364 0.80 PDE4A (0.71) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL9375241 0.80 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BCHRNB4
SCHEMBL7359713 0.80 PDE4A (0.75) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL9375254 0.79 PDE4A (0.63) PDE4APDE4DPDE4CPDE4BCHRNB4
SCHEMBL7363642 0.76 PDE4A (0.87) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7738892 0.75 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL8697092 0.75 PDE4A (0.75) PDE4APDE4DPDE4CPDE4BRXFP1

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
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed