SCHEMBL12005809

SCHEMBL12005809

C[C@@H](C(=O)O)C1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.63
MAOA P21397 6/20 0.63
PTGS1 P23219 2/20 0.63
SDHA P31040 2/20 0.63
LMNA P02545 1/20 0.63
CALML3 P27482 1/20 0.63
F10 P00742 3/20 0.54
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL12477511 0.91 MAOB (0.62) MAOBMAOAPTGS1SDHALMNA
SCHEMBL12477860 0.91 MAOB (0.62) MAOBMAOAPTGS1SDHALMNA
SCHEMBL27629080 0.91 MAOB (0.62) MAOBMAOAPTGS1SDHALMNA
SCHEMBL17060576 0.85 MAOB (0.63) MAOBMAOAPTGS1SDHALMNA
SCHEMBL13814152 0.84 MAOB (0.63) MAOBMAOAPTGS1SDHALMNA
SCHEMBL28109789 0.83 MAOB (0.51) MAOBMAOAPTGS1SDHALMNA
SCHEMBL3038562 0.83 MAOB (0.65) MAOBMAOAPTGS1SDHALMNA
SCHEMBL28110349 0.82 MAOB (0.52) MAOBMAOAPTGS1SDHALMNA
SCHEMBL28110344 0.81 MAOB (0.51) MAOBMAOAPTGS1SDHALMNA
SCHEMBL17026089 0.81 MAOB (0.69) MAOBMAOAPTGS1SDHALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595968-B1 NOVEL PROCESS FOR PREPARATION OF LINEZOLID AND ITS NOVEL INTERMEDIATES LEE PHARMA LTD (IN) 2015-09-09 EP claimed
EP-2595968-A1 NOVEL PROCESS FOR PREPARATION OF LINEZOLID AND ITS NOVEL INTERMEDIATES Lee Pharma Limited (IN) 2013-05-29 EP disclosed
WO-2012114355-A1 NOVEL PROCESS FOR PREPARATION OF LINEZOLID AND ITS NOVEL INTERMEDIATES LEE PHARMA LIMITED (IN) 2012-08-30 WO disclosed