SCHEMBL7841447

SCHEMBL7841447

Cc1nccn1-c1ccc(N2CC(CO)OC2=O)cc1F.Cc1nccn1-c1ccc(NC(=O)OCc2ccccc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 5/20 0.44
MAOA P21397 9/20 0.40
MAOB P27338 5/20 0.40
LMNA P02545 1/20 0.40
PTGS1 P23219 1/20 0.40
SDHA P31040 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
RORC P51449 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 1/20 0.39
ROCK2 O75116 1/20 0.38
SCD O00767 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
SCHEMBL7852375 1.00 CALML3 (0.44) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL7096187 1.00 CALML3 (0.44) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL7084600 0.88 CALML3 (0.44) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL7084601 0.88 CALML3 (0.44) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL7853448 0.86 CALML3 (0.43) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL7853449 0.86 CALML3 (0.43) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL5834842 0.84 CALML3 (0.59) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL5231089 0.84 CALML3 (0.59) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL5232610 0.84 PTGDR2 (0.51) PTGDR2ROCK2SCD
SCHEMBL7078516 0.84 CALML3 (0.59) CALML3MAOAMAOBLMNAPTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121358-A1 HETEROCYCLYLAMINOMETHYLOXAZOLIDINONES AS ANTIBACTERIALS AstraZeneca AB (SE) 2001-08-08 EP disclosed
WO-2000021960-A1 HETEROCYCLYL AMINO METHYLOXA ZOLIDINONES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2000-04-20 WO disclosed