SCHEMBL13428696

SCHEMBL13428696

C#CCNNCNc1ccc(N2C[C@H](CNc3ccon3)OC2=O)cc1F

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.60
CYP2E1 P05181 1/20 0.47
F10 P00742 3/20 0.42
MAOB P27338 9/20 0.41
CALML3 P27482 2/20 0.41
PTGS1 P23219 2/20 0.41
SDHA P31040 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL13428590 0.86 MAOA (0.63) MAOACYP2E1F10MAOBCALML3
SCHEMBL11970546 0.83 MAOA (0.63) MAOACYP2E1F10MAOBCALML3
SCHEMBL11982894 0.82 MAOA (0.62) MAOACYP2E1F10MAOBCALML3
SCHEMBL3323196 0.81 MAOA (0.79) MAOACYP2E1MAOBCALML3PTGS1
SCHEMBL3323189 0.81 MAOA (0.79) MAOACYP2E1MAOBCALML3PTGS1
SCHEMBL3323187 0.81 MAOA (0.79) MAOACYP2E1MAOBCALML3PTGS1
SCHEMBL13428828 0.80 F10 (0.47) MAOAF10MAOBCALML3PTGS1
SCHEMBL15830253 0.79 MAOA (0.68) MAOACYP2E1F10MAOBCALML3
SCHEMBL18409560 0.78 MAOA (0.61) MAOACYP2E1F10MAOBCALML3
SCHEMBL5833650 0.77 MAOB (0.65) MAOACYP2E1F10MAOBCALML3

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