Sugi Predict

Sugi Predict / Compounds / SCHEMBL4574162

SCHEMBL4574162

SCHEMBL4574162

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(=O)NO)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.64
▸ CALML3 P27482 7/20 0.60
▸ MAOB P27338 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ PTGS1 P23219 1/20 0.60
▸ SDHA P31040 1/20 0.60
▸ F10 P00742 1/20 0.51

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
SCHEMBL4574167 1.00 MAOA (0.64) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4573607 0.93 MAOA (0.64) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4573610 0.93 MAOA (0.64) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6091341 0.91 MAOA (0.60) MAOACALML3MAOBLMNAPTGS1
SCHEMBL14763265 0.91 MAOA (0.66) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3080500 0.91 MAOA (0.66) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4573524 0.90 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4573521 0.90 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1393478 0.90 MAOA (0.65) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4573634 0.89 MAOA (0.60) MAOACALML3MAOBLMNAPTGS1

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-2008069619-A1 NOVEL OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LEGOCHEM BIOSCIENCE LTD. (KR) 2008-06-12 — — WO disclosed