SCHEMBL22288977

SCHEMBL22288977

O=C1COC(c2ccc(-c3ccccc3C(F)F)c(F)c2)=NN1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 15/20 0.67
PDE3A Q14432 15/20 0.67
MAOB P27338 5/20 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
SCHEMBL22288963 0.88 PDE3B (0.62) PDE3BPDE3AMAOB
SCHEMBL22288678 0.86 MAOB (0.56) PDE3BPDE3AMAOB
SCHEMBL22304511 0.82 PDE3B (0.61) PDE3BPDE3AMAOB
SCHEMBL30692565 0.81 PDE3B (1.00) PDE3BPDE3A
SCHEMBL20705307 0.81 PDE3B (1.00) PDE3BPDE3A
SCHEMBL22288402 0.79 PDE3B (0.61) PDE3BPDE3AMAOB
SCHEMBL22304856 0.79 PDE3B (0.51) PDE3BPDE3AMAOB
SCHEMBL22288965 0.77 MAOB (0.56) PDE3BPDE3AMAOB
SCHEMBL22304672 0.77 PDE3B (0.66) PDE3BPDE3AMAOB
SCHEMBL22304508 0.77 PDE3B (0.65) 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 disclosed
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed