SCHEMBL22288963

SCHEMBL22288963

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.62
PDE3A Q14432 14/20 0.62
MAOB P27338 6/20 0.53

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
SCHEMBL22288977 0.88 PDE3B (0.67) PDE3BPDE3AMAOB
SCHEMBL22304672 0.88 PDE3B (0.66) PDE3BPDE3AMAOB
SCHEMBL22304511 0.88 PDE3B (0.61) PDE3BPDE3AMAOB
SCHEMBL22288402 0.85 PDE3B (0.61) PDE3BPDE3AMAOB
SCHEMBL22304856 0.85 PDE3B (0.51) PDE3BPDE3AMAOB
SCHEMBL28844038 0.84 MAOB (0.51) PDE3BPDE3AMAOB
SCHEMBL22288965 0.83 MAOB (0.56) PDE3BPDE3AMAOB
SCHEMBL22304508 0.83 PDE3B (0.65) PDE3BPDE3AMAOB
SCHEMBL22304763 0.81 MAOB (0.56) PDE3BPDE3AMAOB
SCHEMBL22304669 0.80 MAOB (0.59) 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 2 patents. 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 claimed
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed