SCHEMBL7360445

SCHEMBL7360445

CC(N1CCCCC1)n1nc(-c2cccc(Cl)c2)c2ncccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.56
PDE4D Q08499 6/20 0.56
PDE4C Q08493 5/20 0.56
PDE4B Q07343 3/20 0.56
PDE3B Q13370 1/20 0.56
PDE3A Q14432 1/20 0.56
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
SLC6A4 P31645 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRND Q07001 1/20 0.40
KDM5B Q9UGL1 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL7370135 0.85 PDE4A (0.55) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7363890 0.85 PDE4A (0.61) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7360386 0.85 PDE4D (0.58) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL9376027 0.83 PDE4A (0.62) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL9376018 0.81 PDE4A (0.55) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7370079 0.79 PDE4A (0.56) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7360454 0.77 PDE4A (0.67) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7370208 0.76 PDE4A (0.53) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7361119 0.76 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL9376021 0.76 PDE4A (0.54) PDE4APDE4DPDE4CPDE4BPDE3B

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