SCHEMBL7362749

SCHEMBL7362749

CC(CN1CCCCC1)n1nc(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.56
PDE4D Q08499 12/20 0.55
PDE4C Q08493 7/20 0.55
PDE4B Q07343 3/20 0.55
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
KMO O15229 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL7360386 0.86 PDE4D (0.58) PDE4APDE4DPDE4CPDE4BMAPT
SCHEMBL7370135 0.85 PDE4A (0.55) PDE4APDE4DPDE4CPDE4BOPRM1
SCHEMBL9375254 0.84 PDE4A (0.63) PDE4APDE4DPDE4CPDE4BMAPT
SCHEMBL7369501 0.84 PDE4A (0.63) PDE4APDE4DPDE4CPDE4BMAPT
SCHEMBL7360388 0.82 PDE4D (0.66) PDE4APDE4DPDE4CPDE4BMAPT
SCHEMBL9375241 0.80 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BMAPT
SCHEMBL9375249 0.80 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL9379510 0.80 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7361965 0.78 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BCHRNB4
SCHEMBL7359713 0.76 PDE4A (0.75) 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