SCHEMBL7441027

SCHEMBL7441027

CCc1[nH]c(=O)[nH]c1C(=O)c1ccnc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.67
PDE3A Q14432 2/20 0.67
PDE4A P27815 18/20 0.55
PDE4B Q07343 18/20 0.55
PDE4C Q08493 18/20 0.55
PDE4D Q08499 18/20 0.55
AR P10275 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
SCHEMBL9787421 0.86 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10635478 0.83 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7430782 0.82 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10632504 0.81 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
Piroximone SCHEMBL119758 0.80 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10638753 0.80 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10632290 0.79 PDE3B (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10638580 0.79 PDE3B (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7434015 0.79 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7434193 0.73 PDE3B (0.70) 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