SCHEMBL7360388

SCHEMBL7360388

O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1CCN1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.66
PDE4A P27815 7/20 0.66
PDE4C Q08493 5/20 0.66
PDE4B Q07343 3/20 0.66
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
BCHE P06276 2/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL7360454 0.84 PDE4A (0.67) PDE4DPDE4APDE4CPDE4BPDE3B
SCHEMBL9375254 0.84 PDE4A (0.63) PDE4DPDE4APDE4CPDE4BPDE3B
SCHEMBL7362755 0.83 PDE4A (0.60) PDE4DPDE4APDE4CPDE4BPDE3B
SCHEMBL7359713 0.83 PDE4A (0.75) PDE4DPDE4APDE4CPDE4BPDE3B
SCHEMBL7362749 0.82 PDE4A (0.56) PDE4DPDE4APDE4CPDE4BPDE3B
SCHEMBL6636364 0.82 PDE4A (0.71) PDE4DPDE4APDE4CPDE4BPDE3B
SCHEMBL7361971 0.82 PDE4A (0.60) PDE4DPDE4APDE4CPDE4BPDE3B
SCHEMBL7363642 0.81 PDE4A (0.87) PDE4DPDE4APDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL31427010 0.80 PDE4A (1.00) PDE4DPDE4APDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL6637552 0.80 PDE4A (1.00) PDE4DPDE4APDE4CPDE4BPDE3B

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-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
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