SCHEMBL7440550

SCHEMBL7440550

CCCOc1cnccc1C(=O)c1[nH]c(=O)[nH]c1CC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.56
PDE3A Q14432 2/20 0.56
PDE4A P27815 14/20 0.45
PDE4B Q07343 14/20 0.45
PDE4C Q08493 14/20 0.45
PDE4D Q08499 14/20 0.45
PDE5A O76074 2/20 0.38
POLB P06746 1/20 0.34
BUB1 O43683 2/20 0.34

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
SCHEMBL9787267 0.87 PDE3B (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7426497 0.80 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10632620 0.79 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10632774 0.78 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7440841 0.77 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10995312 0.76 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10632808 0.76 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10636360 0.74 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7441965 0.73 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
Piroximone SCHEMBL119758 0.73 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C

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
EP-0059948-B1 NOVEL AROYLIMIDAZOLONES MERRELL DOW PHARMACEUTICALS INC. (US) 1985-11-13 EP disclosed
US-4405628-A 4-Pyridylimidazolones and method of use MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-20 US disclosed
EP-0059948-A1 Novel aroylimidazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-09-15 EP disclosed