SCHEMBL7328115

SCHEMBL7328115

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
PDE3B Q13370 11/20 0.51
PDE3A Q14432 11/20 0.51
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
GFER P55789 1/20 0.46
TNNC1 P63316 1/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
KCNH2 Q12809 1/20 0.44
GPR119 Q8TDV5 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
SCHEMBL7326514 1.00 HRH3 (0.52) HRH3PDE3BPDE3AKDM4EALDH1A1
SCHEMBL7328015 1.00 HRH3 (0.52) HRH3PDE3BPDE3AKDM4EALDH1A1
SCHEMBL7325184 0.87 HRH3 (0.53) HRH3PDE3BPDE3AKDM4EALDH1A1
SCHEMBL7332131 0.85 HRH3 (0.48) HRH3PDE3BPDE3AKDM4EALDH1A1
SCHEMBL10370841 0.84 HRH3 (0.54) HRH3PDE3BPDE3AKDM4EALDH1A1
SCHEMBL10369572 0.82 HRH3 (0.59) HRH3PDE3BPDE3AKDM4EALDH1A1
SCHEMBL7327130 0.81 HRH3 (0.60) HRH3PDE3BPDE3AKDM4EALDH1A1
SCHEMBL7329667 0.81 MAPT (0.55) HRH3PDE3BPDE3ASMN1; SMN2MAPT
SCHEMBL10560392 0.79 PDE3B (0.61) HRH3PDE3BPDE3AKDM4EALDH1A1
SCHEMBL9654449 0.77 PDE3B (0.60) PDE3BPDE3AKDM4EALDH1A1SMN1; SMN2

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