SCHEMBL22304644

SCHEMBL22304644

Cc1cc(F)ccc1-c1ccc(C2=NNC(=O)CO2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.52
PDE3A Q14432 18/20 0.52
MAOB P27338 2/20 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
SCHEMBL22304747 0.89 PDE3B (0.56) PDE3BPDE3AMAOB
SCHEMBL22304648 0.88 PDE3B (0.64) PDE3BPDE3AMAOB
SCHEMBL22304508 0.86 PDE3B (0.65) PDE3BPDE3AMAOB
SCHEMBL22288400 0.86 PDE3B (0.49) PDE3BPDE3AMAOB
SCHEMBL22304848 0.85 PDE3B (0.58) PDE3BPDE3AMAOB
SCHEMBL22304647 0.85 MAOB (0.57) PDE3BPDE3AMAOB
SCHEMBL22288412 0.83 PDE3B (0.67) PDE3BPDE3A
SCHEMBL22304672 0.82 PDE3B (0.66) PDE3BPDE3AMAOB
SCHEMBL22288706 0.80 MAOB (0.50) PDE3BPDE3AMAOB
SCHEMBL22304511 0.78 PDE3B (0.61) 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 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