SCHEMBL542046

SCHEMBL542046

O=C1O[C@@H](CO)CN1c1ccc(OCC2(O)CCNCC2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.53
MAOA P21397 6/20 0.46
MAOB P27338 4/20 0.46
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP3A4 P08684 1/20 0.43
F10 P00742 1/20 0.42
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
SDHA P31040 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL542047 1.00 CALML3 (0.53) CALML3MAOAMAOBCYP2C19CYP2C9
Hydrochloric Acid SCHEMBL17769284 0.99 CALML3 (0.52) CALML3MAOAMAOBCYP2C19CYP2C9
Hydrochloric Acid SCHEMBL17769285 0.99 CALML3 (0.52) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL712416 0.95 CALML3 (0.50) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL712417 0.95 CALML3 (0.50) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL17775553 0.92 CALML3 (0.44) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL702819 0.87 MAOA (0.56) CALML3MAOAMAOBF10LMNA
SCHEMBL2108909 0.84 MAOA (0.53) CALML3MAOAMAOBF10LMNA
SCHEMBL17769349 0.84 CALML3 (0.45) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL17769351 0.84 CALML3 (0.45) CALML3MAOAMAOBCYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016079757-A2 NOVEL PROCESSES FOR PREPARING 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES SYMED LABS LIMITED (IN) 2016-05-26 WO disclosed
WO-2016079757-A2 NOVEL PROCESSES FOR PREPARING 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES SYMED LABS LIMITED (IN) 2016-05-26 WO disclosed
EP-2296651-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES FOR TREATING BACTERIAL INTESTINAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2012-07-18 EP disclosed
EP-2086968-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-08 EP disclosed
EP-2296651-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES FOR TREATING BACTERIAL INTESTINAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2011-03-23 EP disclosed
WO-2009136379-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES FOR TREATING BACTERIAL INTESTINAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2009-11-12 WO disclosed
EP-2086968-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-08-12 EP disclosed
WO-2008056335-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-15 WO disclosed