SCHEMBL22288607

SCHEMBL22288607

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

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.47
PDE3B Q13370 6/20 0.46
PDE3A Q14432 6/20 0.46

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
SCHEMBL22288970 0.85 PDE3B (0.63) MAOBPDE3BPDE3A
SCHEMBL22288706 0.85 MAOB (0.50) MAOBPDE3BPDE3A
SCHEMBL22304517 0.84 PDE3B (0.47) MAOBPDE3BPDE3A
SCHEMBL22288636 0.84 PDE3B (0.62) MAOBPDE3BPDE3A
SCHEMBL22288936 0.82 PDE3B (0.59) MAOBPDE3BPDE3A
SCHEMBL22304648 0.81 PDE3B (0.64) MAOBPDE3BPDE3A
SCHEMBL22304680 0.81 MAOB (0.46) MAOBPDE3BPDE3A
SCHEMBL22304512 0.80 PDE3B (0.46) MAOBPDE3BPDE3A
SCHEMBL22288953 0.78 PDE3B (0.56) MAOBPDE3BPDE3A
SCHEMBL22304747 0.78 PDE3B (0.56) MAOBPDE3BPDE3A

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