SCHEMBL7325592

SCHEMBL7325592

O=C1CCC(c2ccc(OCCCN3C(=O)c4ccccc4C3=O)cc2)=NN1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.67
LMNA P02545 1/20 0.65
NPY1R P25929 1/20 0.65
NPY2R P49146 1/20 0.65
MAPT P10636 3/20 0.61
KMT2A Q03164 1/20 0.58
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 1/20 0.47
PDE2A O00408 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
BACE1 P56817 4/20 0.44

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
SCHEMBL4901340 0.84 HRH3 (0.47) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL10258996 0.80 HRH3 (1.00) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL7303673 0.80 SMN1; SMN2 (0.48) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL12017607 0.79 HRH3 (0.98) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL1373314 0.79 LMNA (0.80) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL10967326 0.79 LMNA (1.00) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL4903450 0.78 PDE4B (0.47) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL7335953 0.78 HRH3 (0.69) HRH3MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL7306239 0.78 LMNA (0.78) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL10674350 0.77 RAB9A (0.82) HRH3MAPTRAB9ASMN1; SMN2HPGD

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