SCHEMBL7327355

SCHEMBL7327355

C[C@@H]1CC(=O)NN=C1c1ccc(O)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.66
PDE3A Q14432 18/20 0.66
PDE4A P27815 3/20 0.59
PDE4B Q07343 3/20 0.59
PDE4C Q08493 3/20 0.59
PDE4D Q08499 3/20 0.59
TNNC1 P63316 1/20 0.59
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 1/20 0.55
BLM P54132 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL2840668 1.00 PDE3B (0.66) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7338020 1.00 PDE3B (0.66) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353457 0.92 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8342501 0.85 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL22317993 0.85 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9687674 0.85 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10016799 0.85 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11633346 0.85 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10475173 0.85 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11268997 0.84 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C

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