SCHEMBL16685649

SCHEMBL16685649

O=C1OC(CO)CN1c1ccc(Br)cc1F

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.50
MAOB P27338 8/20 0.48
MAOA P21397 4/20 0.48
GRM2 Q14416 1/20 0.44
F10 P00742 2/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
SDHA P31040 1/20 0.42

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
SCHEMBL2897920 1.00 CALML3 (0.50) CALML3MAOBMAOAGRM2F10
SCHEMBL16686174 0.87 GRM2 (0.44) CALML3MAOBMAOAGRM2F10
SCHEMBL16686176 0.87 GRM2 (0.44) CALML3MAOBMAOAGRM2F10
SCHEMBL16686258 0.85 MAOA (0.55) CALML3MAOBMAOAGRM2F10
SCHEMBL16686255 0.85 MAOA (0.55) CALML3MAOBMAOAGRM2F10
SCHEMBL4901632 0.84 MAOB (0.61) CALML3MAOBMAOAGRM2LMNA
SCHEMBL16685846 0.82 CALML3 (0.50) CALML3MAOBMAOAGRM2
SCHEMBL16685849 0.82 CALML3 (0.50) CALML3MAOBMAOAGRM2
SCHEMBL4578360 0.81 GRM2 (0.64) CALML3MAOBMAOAGRM2
SCHEMBL412126 0.80 MAOA (0.46) CALML3MAOBMAOAGRM2LMNA

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-2015066413-A1 OXAZOLIDINONE HYDROXAMIC ACID COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-05-07 WO disclosed