SCHEMBL16686244

SCHEMBL16686244

O=C1O[C@@H](CI)CN1c1ccc(Br)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.50
MAOB P27338 9/20 0.47
MAOA P21397 4/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
SDHA P31040 1/20 0.47
GRM2 Q14416 2/20 0.43
F10 P00742 2/20 0.43

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
SCHEMBL16686245 1.00 CALML3 (0.50) CALML3MAOBMAOALMNAPTGS1
SCHEMBL29406421 0.87 CALML3 (0.65) CALML3MAOBMAOALMNAPTGS1
SCHEMBL4574013 0.87 F10 (0.52) CALML3MAOBMAOALMNAPTGS1
SCHEMBL30768255 0.87 CALML3 (0.65) CALML3MAOBMAOALMNAPTGS1
SCHEMBL2107338 0.87 F10 (0.52) CALML3MAOBMAOALMNAPTGS1
SCHEMBL17443340 0.87 CALML3 (0.50) CALML3MAOBMAOALMNAPTGS1
SCHEMBL30468631 0.87 CALML3 (0.65) CALML3MAOBMAOALMNAPTGS1
SCHEMBL4574017 0.87 F10 (0.52) CALML3MAOBMAOALMNAPTGS1
SCHEMBL17443338 0.87 CALML3 (0.50) CALML3MAOBMAOALMNAPTGS1
SCHEMBL29021122 0.87 CALML3 (0.65) CALML3MAOBMAOALMNAPTGS1

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