SCHEMBL7364894

SCHEMBL7364894

O=c1c2cccnc2c(-c2cccc(Cl)c2)nn1C1CCCN1CCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.57
PDE4D Q08499 4/20 0.51
PDE4B Q07343 3/20 0.51
PDE4C Q08493 3/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
LMNA P02545 2/20 0.45
ADRA1A P35348 7/20 0.39
HRH1 P35367 7/20 0.39
ADRA1B P35368 7/20 0.39
KCNH2 Q12809 6/20 0.39
HRH3 Q9Y5N1 6/20 0.39
GAA P10253 1/20 0.38
MCHR1 Q99705 1/20 0.35
JAK2 O60674 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MPI P34949 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7362080 0.87 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7369665 0.86 PDE4A (0.53) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL8308698 0.82 PDE4A (0.57) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL8308651 0.80 PDE4A (0.66) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7362076 0.78 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7365393 0.74 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CLMNA
SCHEMBL7370084 0.73 PDE4A (0.67) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7360454 0.72 PDE4A (0.67) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7364896 0.72 PDE4A (0.54) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7370144 0.71 PDE4A (0.65) PDE4APDE4DPDE4BPDE4CPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612321-B1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX INC (US) 1999-08-25 EP disclosed
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