SCHEMBL9376018

SCHEMBL9376018

CC(C1CCCCN1C)n1nc(-c2cccc(Cl)c2)c2ncccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.55
PDE4D Q08499 4/20 0.48
PDE4B Q07343 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
ADRA1A P35348 4/20 0.40
HRH1 P35367 4/20 0.40
ADRA1B P35368 4/20 0.40
KCNH2 Q12809 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
KAT2B Q92831 4/20 0.36
AVPR1B P47901 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9375241 0.86 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CALDH1A1
SCHEMBL7370079 0.83 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7360445 0.81 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7363890 0.80 PDE4A (0.61) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7370135 0.79 PDE4A (0.55) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7370144 0.79 PDE4A (0.65) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL9376021 0.77 PDE4A (0.54) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL8308651 0.76 PDE4A (0.66) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL9378651 0.74 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL9376027 0.73 PDE4A (0.62) 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 1 patent. 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