SCHEMBL22304517

SCHEMBL22304517

Nc1ccc(C2=NNC(=O)CO2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.47
PDE3A Q14432 10/20 0.47
MAOB P27338 10/20 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
SCHEMBL22288706 0.85 MAOB (0.50) PDE3BPDE3AMAOB
SCHEMBL22288970 0.85 PDE3B (0.63) PDE3BPDE3AMAOB
SCHEMBL22288607 0.84 MAOB (0.47) PDE3BPDE3AMAOB
SCHEMBL22288636 0.84 PDE3B (0.62) PDE3BPDE3AMAOB
SCHEMBL22288936 0.82 PDE3B (0.59) PDE3BPDE3AMAOB
SCHEMBL22304680 0.81 MAOB (0.46) PDE3BPDE3AMAOB
SCHEMBL22304648 0.81 PDE3B (0.64) PDE3BPDE3AMAOB
SCHEMBL22288986 0.78 PDE3B (0.47) PDE3BPDE3AMAOB
SCHEMBL22304672 0.78 PDE3B (0.66) PDE3BPDE3AMAOB
SCHEMBL4691651 0.76 MAOB (0.51) 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