SCHEMBL22304672

SCHEMBL22304672

O=C1COC(c2ccc(-c3ccccc3F)c(C(F)(F)F)c2)=NN1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.66
PDE3A Q14432 16/20 0.66
MAOB P27338 4/20 0.47

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
SCHEMBL22304747 0.89 PDE3B (0.56) PDE3BPDE3AMAOB
SCHEMBL22288963 0.88 PDE3B (0.62) PDE3BPDE3AMAOB
SCHEMBL22304648 0.85 PDE3B (0.64) PDE3BPDE3AMAOB
SCHEMBL22304850 0.84 MAOB (0.50) PDE3BPDE3AMAOB
SCHEMBL22288706 0.84 MAOB (0.50) PDE3BPDE3AMAOB
SCHEMBL22304644 0.82 PDE3B (0.52) PDE3BPDE3AMAOB
SCHEMBL22288942 0.81 MAOB (0.56) PDE3BPDE3AMAOB
SCHEMBL22304848 0.80 PDE3B (0.58) PDE3BPDE3AMAOB
SCHEMBL22304767 0.80 PDE3B (0.47) PDE3BPDE3A
SCHEMBL30580610 0.80 PDE3B (1.00) PDE3BPDE3A

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