SCHEMBL7328498

SCHEMBL7328498

CC(CN)C(Oc1ccc(C2=NNC(=O)CC2)cc1Cl)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.51
PDE3A Q14432 11/20 0.51
PDE4B Q07343 6/20 0.51
PDE4A P27815 4/20 0.51
PDE4C Q08493 4/20 0.51
PDE4D Q08499 4/20 0.51
MAPT P10636 2/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7328506 0.78 LMNA (0.47) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7327890 0.78 PDE3B (0.51) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL4900340 0.78 PDE3B (0.55) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7337183 0.77 PDE3B (0.49) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7333837 0.76 PDE3B (0.44) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7328514 0.76 PDE3B (0.48) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL8191155 0.76 PDE3B (0.61) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL20703292 0.75 PDE3B (0.77) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7333824 0.75 PDE3B (0.47) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL4573757 0.75 PDE3B (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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