SCHEMBL7441965

SCHEMBL7441965

CCc1[nH]c(=O)[nH]c1C(=O)c1cnccc1CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.57
PDE3A Q14432 2/20 0.57
PDE4A P27815 14/20 0.46
PDE4B Q07343 14/20 0.46
PDE4C Q08493 14/20 0.46
PDE4D Q08499 14/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.36
GSK3B P49841 1/20 0.33
CDC7 O00311 1/20 0.33
KDM6B O15054 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL7440841 0.80 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10632620 0.80 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7426497 0.79 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10632808 0.77 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10632774 0.76 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10995312 0.75 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
Piroximone SCHEMBL119758 0.74 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7446222 0.73 PDE3B (0.72) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10636360 0.73 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7440550 0.73 PDE3B (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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