SCHEMBL7361965

SCHEMBL7361965

CC(C1CCCN(C)C1)n1nc(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.51
PDE4D Q08499 11/20 0.50
PDE4C Q08493 6/20 0.50
PDE4B Q07343 2/20 0.50
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB3 Q05901 1/20 0.37
KAT2B Q92831 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
MET P08581 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
SCHEMBL7370079 0.86 PDE4A (0.56) PDE4APDE4DPDE4CPDE4BKAT2B
SCHEMBL9375241 0.84 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BCHRNB4
SCHEMBL7369501 0.81 PDE4A (0.63) PDE4APDE4DPDE4CPDE4B
SCHEMBL7361971 0.81 PDE4A (0.60) PDE4APDE4DPDE4CPDE4BCHRNB4
SCHEMBL7360386 0.80 PDE4D (0.58) PDE4APDE4DPDE4CPDE4BCHRNB4
SCHEMBL7362749 0.78 PDE4A (0.56) PDE4APDE4DPDE4CPDE4BCHRNB4
SCHEMBL9379510 0.77 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL9375249 0.76 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL6636364 0.74 PDE4A (0.71) PDE4APDE4DPDE4CPDE4BRXFP1
SCHEMBL9379516 0.74 PDE4A (0.57) PDE4APDE4DPDE4CPDE4BRXFP1

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