SCHEMBL22304514

SCHEMBL22304514

O=C1COC(c2ccc(OC3CC3)c(C(F)(F)F)c2)=NN1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.42
SYK P43405 1/20 0.42
PDE3B Q13370 7/20 0.41
PDE3A Q14432 7/20 0.41
PRKCA P17252 1/20 0.39
PRKCQ Q04759 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
SCHEMBL22304870 0.96 PDE3B (0.41) MAOBSYKPDE3BPDE3APRKCA
SCHEMBL22288415 0.91 PDE3B (0.44) MAOBSYKPDE3BPDE3APRKCA
SCHEMBL22288953 0.84 PDE3B (0.56) MAOBPDE3BPDE3A
SCHEMBL22304679 0.82 PDE3B (0.48) MAOBPDE3BPDE3A
SCHEMBL22288936 0.81 PDE3B (0.59) MAOBPDE3BPDE3A
SCHEMBL22304512 0.81 PDE3B (0.46) MAOBPDE3BPDE3A
SCHEMBL22288706 0.79 MAOB (0.50) MAOBPDE3BPDE3A
SCHEMBL22288970 0.79 PDE3B (0.63) MAOBPDE3BPDE3A
SCHEMBL22288636 0.78 PDE3B (0.62) MAOBPDE3BPDE3A
SCHEMBL22288607 0.78 MAOB (0.47) 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