SCHEMBL13428653

SCHEMBL13428653

N/N=C\Nc1ccc(N2C[C@H](CO)OC2=O)cc1F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.56
MAOB P27338 8/20 0.50
MAOA P21397 5/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.49
LMNA P02545 1/20 0.48
PTGS1 P23219 1/20 0.48
SDHA P31040 1/20 0.48
F10 P00742 1/20 0.46

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
SCHEMBL13428600 0.87 CALML3 (0.54) CALML3MAOBMAOACYP2C19CYP3A4
SCHEMBL13428666 0.86 MAOA (0.67) CALML3MAOBMAOALMNAPTGS1
SCHEMBL13428400 0.83 MAOB (0.54) CALML3MAOBMAOALMNAPTGS1
SCHEMBL12527840 0.81 CALML3 (0.57) CALML3MAOBMAOACYP2C19CYP3A4
SCHEMBL11970035 0.80 CALML3 (0.56) CALML3MAOBMAOACYP2C19CYP3A4
SCHEMBL13054827 0.80 CALML3 (0.67) CALML3MAOBMAOACYP2C19CYP3A4
SCHEMBL3755717 0.80 CALML3 (0.67) CALML3MAOBMAOACYP2C19CYP3A4
SCHEMBL3323285 0.79 CALML3 (0.80) CALML3MAOBMAOACYP2C19CYP3A4
SCHEMBL3323276 0.79 CALML3 (0.80) CALML3MAOBMAOACYP2C19CYP3A4
SCHEMBL3323279 0.79 CALML3 (0.80) CALML3MAOBMAOACYP2C19CYP3A4

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-2010036000-A2 NOVEL OXAZOLIDINONE DERIVATIVES WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AND PHARMACEUTICAL COMPOSITIONS THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2010-04-01 WO disclosed