SCHEMBL22288971

SCHEMBL22288971

CCCCOc1ccc(C2=NNC(=O)CO2)cc1CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
MAOB P27338 15/20 0.39
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
MAPT P10636 1/20 0.35

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
SCHEMBL22288646 0.85 PDE3B (0.52) LMNANPY1RNPY2RMAOBPDE3B
SCHEMBL22288973 0.80 LMNA (0.41) LMNANPY1RNPY2RMAOBMAPT
SCHEMBL22304685 0.80 PDE3B (0.58) MAOBPDE3BPDE3A
SCHEMBL22304780 0.78 MAOB (0.45) MAOBPDE3BPDE3AMAPT
SCHEMBL22288923 0.76 PDE3B (0.57) MAOBPDE3BPDE3A
SCHEMBL22288953 0.75 PDE3B (0.56) MAOBPDE3BPDE3A
SCHEMBL22304871 0.75 PDE3B (0.47) MAOBPDE3BPDE3A
SCHEMBL22304512 0.74 PDE3B (0.46) MAOBPDE3BPDE3A
SCHEMBL22288920 0.73 PDE3B (0.47) MAOBPDE3BPDE3A
SCHEMBL22288642 0.73 MAOB (0.44) MAOBPDE3BPDE3A

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