SCHEMBL22304679

SCHEMBL22304679

O=C1COC(c2ccc(OCC(F)F)c(C(F)(F)F)c2)=NN1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.48
PDE3A Q14432 7/20 0.48
MAOB P27338 12/20 0.43
XDH P47989 1/20 0.39

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
SCHEMBL22288953 0.87 PDE3B (0.56) PDE3BPDE3AMAOB
SCHEMBL22304512 0.86 PDE3B (0.46) PDE3BPDE3AMAOB
SCHEMBL22304685 0.85 PDE3B (0.58) PDE3BPDE3AMAOB
SCHEMBL22288923 0.85 PDE3B (0.57) PDE3BPDE3AMAOB
SCHEMBL22288646 0.84 PDE3B (0.52) PDE3BPDE3AMAOB
SCHEMBL22304871 0.84 PDE3B (0.47) PDE3BPDE3AMAOB
SCHEMBL22304514 0.82 MAOB (0.42) PDE3BPDE3AMAOB
SCHEMBL22288920 0.82 PDE3B (0.47) PDE3BPDE3AMAOB
SCHEMBL22304870 0.80 PDE3B (0.41) PDE3BPDE3AMAOB
SCHEMBL22288415 0.80 PDE3B (0.44) PDE3BPDE3AMAOB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed