SCHEMBL7337123

SCHEMBL7337123

NCCNC(=O)COc1ccc(C2=NNC(=O)CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
PDE4B Q07343 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
HPGD P15428 3/20 0.44
LMNA P02545 6/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PDK2 Q15119 1/20 0.42
XBP1 P17861 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7333826 0.89 TP53 (0.47) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL9526509 0.88 LMNA (0.51) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL10474304 0.87 PDE3B (0.50) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL10475455 0.87 HPGD (0.49) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL10431523 0.85 HRH3 (0.51) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL4884827 0.85 LMNA (0.46) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL10723099 0.85 HRH3 (0.48) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7326426 0.85 PDE3B (0.47) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7336275 0.85 PDE3B (0.47) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7336611 0.85 PDE4B (0.43) 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