SCHEMBL22288642

SCHEMBL22288642

COCCOc1ccc(C2=NNC(=O)CO2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 18/20 0.44
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL22304780 0.90 MAOB (0.45) MAOBPDE3BPDE3AGPR119
SCHEMBL22304871 0.86 PDE3B (0.47) MAOBPDE3BPDE3A
SCHEMBL22288613 0.81 PDE3B (0.50) MAOBPDE3BPDE3A
SCHEMBL22288965 0.77 MAOB (0.56) MAOBPDE3BPDE3A
SCHEMBL22304519 0.77 SCN9A (0.43) MAOBPDE3BPDE3A
SCHEMBL22288910 0.77 SCN9A (0.43) MAOBPDE3BPDE3A
SCHEMBL22304685 0.76 PDE3B (0.58) MAOBPDE3BPDE3A
SCHEMBL22304766 0.76 PDE3B (0.51) MAOBPDE3BPDE3A
SCHEMBL22304763 0.75 MAOB (0.56) MAOBPDE3BPDE3A
SCHEMBL22288624 0.74 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 3 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
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed