SCHEMBL541643

SCHEMBL541643

CC(C)(C)OC(=O)N1CCC(COc2ccc(N3C[C@H](CO[Si](C)(C)C(C)(C)C)OC3=O)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.41
GPR119 Q8TDV5 4/20 0.40
MAOB P27338 4/20 0.40
MAOA P21397 4/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
USP30 Q70CQ3 1/20 0.39
CSF1R P07333 1/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
CALML3 P27482 1/20 0.39
SDHA P31040 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
SCHEMBL541638 0.85 PDE4B (0.40) MAOBMAOA
SCHEMBL711710 0.83 GPR119 (0.41) SCN9AGPR119ALOX5APFEN1USP30
SCHEMBL541644 0.82 ALOX5AP (0.39) SCN9AGPR119ALOX5APFEN1CSF1R
SCHEMBL6110542 0.78 GPR119 (0.53) GPR119MAOBMAOALMNAPTGS1
SCHEMBL541588 0.78 GRM2 (0.46) CALML3
SCHEMBL6111993 0.77 GPR119 (0.46) GPR119MAOBMAOAUSP30LMNA
SCHEMBL6110625 0.77 GPR119 (0.55) GPR119MAOBMAOALMNAPTGS1
SCHEMBL542136 0.77 CALML3 (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL17769349 0.76 CALML3 (0.45) GPR119MAOBMAOALMNAPTGS1
SCHEMBL17769351 0.76 CALML3 (0.45) GPR119MAOBMAOALMNAPTGS1

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-2086968-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-08 EP 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