SCHEMBL7328478

SCHEMBL7328478

O=C(O)CCCOc1ccc(C2=NNC(=O)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.72
NPY1R P25929 1/20 0.72
NPY2R P49146 1/20 0.72
MAPT P10636 2/20 0.68
KMT2A Q03164 1/20 0.64
HRH3 Q9Y5N1 4/20 0.63
SMN1; SMN2 Q16637 1/20 0.52
PDE3B Q13370 4/20 0.46
PDE3A Q14432 4/20 0.46
FFAR4 Q5NUL3 4/20 0.44
FFAR1 O14842 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE2A O00408 1/20 0.43
P2RY12 Q9H244 1/20 0.43
SERPINE1 P05121 1/20 0.43

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
SCHEMBL7330323 0.85 MAPT (0.65) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7336619 0.84 LMNA (0.72) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL1373314 0.84 LMNA (0.80) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL10967326 0.84 LMNA (1.00) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7327893 0.83 PDE3B (0.52) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7306239 0.83 LMNA (0.78) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7338149 0.82 LMNA (0.61) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL8116038 0.82 LMNA (0.76) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL10970095 0.81 MAPT (1.00) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL6795295 0.81 MAPT (0.75) LMNANPY1RNPY2RMAPTKMT2A

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