SCHEMBL7338149

SCHEMBL7338149

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
NPY1R P25929 1/20 0.61
NPY2R P49146 1/20 0.61
MAPT P10636 4/20 0.58
KMT2A Q03164 2/20 0.55
HRH3 Q9Y5N1 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.41
PDE3B Q13370 2/20 0.41
KCNH2 Q12809 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HPGD P15428 2/20 0.40
PDE3A Q14432 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL7326890 0.88 MAPT (0.55) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7333826 0.85 TP53 (0.47) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7333903 0.85 LMNA (0.60) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7306239 0.83 LMNA (0.78) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7328478 0.82 LMNA (0.72) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL8116038 0.81 LMNA (0.76) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL6795295 0.81 MAPT (0.75) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7297671 0.80 PDE3B (0.53) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL7335052 0.80 HRH3 (0.57) MAPTHRH3SMN1; SMN2PDE3BKCNH2
SCHEMBL7338143 0.77 MAPT (0.50) 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