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Sugi Predict / Compounds / SCHEMBL13428480

SCHEMBL13428480

SCHEMBL13428480

O=CN1CCN(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2)CN1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.50
▸ CYP2E1 P05181 1/20 0.46
▸ F10 P00742 13/20 0.38
▸ ITGB3 P05106 7/20 0.37
▸ ITGA2B P08514 7/20 0.37
▸ PRSS1 P07477 3/20 0.36
▸ PRSS2 P07478 3/20 0.36
▸ PRSS3 P35030 3/20 0.36
▸ F2 P00734 2/20 0.35

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
SCHEMBL6766071 0.81 MAOA (0.57) MAOACYP2E1F10F2
SCHEMBL11969046 0.78 MAOA (0.50) MAOACYP2E1F10ITGB3ITGA2B
SCHEMBL13428739 0.76 MAOA (0.51) MAOACYP2E1F10
SCHEMBL13428748 0.74 MAOA (0.52) MAOACYP2E1F10F2
SCHEMBL11969777 0.74 MAOA (0.52) MAOACYP2E1F10F2
SCHEMBL11969006 0.74 MAOA (0.54) MAOACYP2E1F10
SCHEMBL3323189 0.73 MAOA (0.79) MAOACYP2E1
SCHEMBL3323196 0.73 MAOA (0.79) MAOACYP2E1
SCHEMBL3323187 0.73 MAOA (0.79) MAOACYP2E1
SCHEMBL5833654 0.73 MAOA (0.51) MAOACYP2E1F10ITGB3ITGA2B

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