SCHEMBL22304511

SCHEMBL22304511

O=C1COC(c2ccc(-c3ccc(F)cc3F)c(F)c2)=NN1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.61
PDE3A Q14432 11/20 0.61
MAOB P27338 9/20 0.56

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
SCHEMBL22288402 0.92 PDE3B (0.61) PDE3BPDE3AMAOB
SCHEMBL22304669 0.92 MAOB (0.59) PDE3BPDE3AMAOB
SCHEMBL22304508 0.91 PDE3B (0.65) PDE3BPDE3AMAOB
SCHEMBL22304747 0.89 PDE3B (0.56) PDE3BPDE3AMAOB
SCHEMBL22288963 0.88 PDE3B (0.62) PDE3BPDE3AMAOB
SCHEMBL22304763 0.85 MAOB (0.56) PDE3BPDE3AMAOB
SCHEMBL22288965 0.84 MAOB (0.56) PDE3BPDE3AMAOB
SCHEMBL22304501 0.82 MAOB (0.63) MAOB
SCHEMBL22304755 0.81 MAOB (0.61) MAOB
SCHEMBL22288624 0.81 MAOB (0.56) MAOB

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