SCHEMBL13428600

SCHEMBL13428600

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.54
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAOB P27338 7/20 0.50
MAOA P21397 5/20 0.50
F10 P00742 1/20 0.49
CYP2C9 P11712 1/20 0.47
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
SDHA P31040 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
SCHEMBL13428653 0.87 CALML3 (0.56) CALML3CYP2C19CYP3A4MAOBMAOA
SCHEMBL23992025 0.80 F10 (0.44) CALML3CYP2C19CYP3A4MAOBMAOA
SCHEMBL23992014 0.80 F10 (0.44) CALML3CYP2C19CYP3A4MAOBMAOA
SCHEMBL13428297 0.78 F10 (0.43) CALML3CYP2C19CYP3A4MAOBMAOA
SCHEMBL1222787 0.78 CALML3 (0.67) CALML3CYP2C19CYP3A4MAOBMAOA
SCHEMBL10033715 0.78 CALML3 (0.67) CALML3CYP2C19CYP3A4MAOBMAOA
SCHEMBL1222791 0.78 CALML3 (0.67) CALML3CYP2C19CYP3A4MAOBMAOA
SCHEMBL12527840 0.78 CALML3 (0.57) CALML3CYP2C19CYP3A4MAOBMAOA
SCHEMBL13428553 0.77 MAOA (0.61) CALML3MAOBMAOAF10LMNA
SCHEMBL3323285 0.77 CALML3 (0.80) CALML3CYP2C19CYP3A4MAOBMAOA

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