SCHEMBL7329370

SCHEMBL7329370

CC(C)(C)ONC(=O)C(C)(C)CCOc1ccc(C2=NNC(=O)CC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.47
PDE3A Q14432 6/20 0.47
PDE4B Q07343 5/20 0.47
PDE4A P27815 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 3/20 0.38
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 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
SCHEMBL7335980 0.87 PDE4B (0.51) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7336147 0.86 PDE3B (0.50) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7331318 0.84 PDE3B (0.43) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7336905 0.83 PDE3B (0.53) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7336401 0.81 TP53 (0.43) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7336611 0.79 PDE4B (0.43) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL4903296 0.79 PDE3B (0.54) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL4900340 0.78 PDE3B (0.55) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7327893 0.77 PDE3B (0.52) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL8267127 0.77 PDE3B (0.55) PDE3BPDE3APDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5204463-A Substituted methoxyphenyl-4,5 dihydro-3(2H)-pridazinones having cardiotonic and beta blocking activities GLAXO INC. (US) 1993-04-20 US disclosed
US-5096904-A Congestive heart failure GLAXO INC. (US) 1992-03-17 US disclosed
US-5053338-A Hydrolysis of ester to obtain an optically enriched mixture of a phenol enantiomer GLAXO INC. (US) 1991-10-01 US disclosed
EP-0412814-A2 Pyridazinones having cardiotonic and beta blocking activity GLAXO WELLCOME INC. (US) 1991-02-13 EP disclosed