SCHEMBL22288973

SCHEMBL22288973

CCCCOc1ccc(C2=NNC(=O)CO2)cc1C(F)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
MAOB P27338 17/20 0.39
MAPT P10636 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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 0.82 PDE3B (0.52) LMNANPY1RNPY2RMAOB
SCHEMBL22288971 0.80 LMNA (0.40) LMNANPY1RNPY2RMAOBMAPT
SCHEMBL22304780 0.79 MAOB (0.45) MAOBMAPT
SCHEMBL22304685 0.77 PDE3B (0.58) MAOB
SCHEMBL22288642 0.74 MAOB (0.44) MAOB
SCHEMBL22288953 0.74 PDE3B (0.56) MAOB
SCHEMBL22304871 0.72 PDE3B (0.47) MAOB
SCHEMBL22304512 0.71 PDE3B (0.46) MAOB
SCHEMBL22304679 0.70 PDE3B (0.48) MAOB
SCHEMBL22288923 0.70 PDE3B (0.57) 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