SCHEMBL6188683

SCHEMBL6188683

CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=CCC#N)CC3)cc2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.52
MAOB P27338 2/20 0.52
LMNA P02545 1/20 0.52
PTGS1 P23219 1/20 0.52
CALML3 P27482 1/20 0.52
SDHA P31040 1/20 0.52
F10 P00742 9/20 0.47
ITGB3 P05106 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
ITGA2B P08514 2/20 0.46
PRSS3 P35030 2/20 0.46
ABCB11 O95342 1/20 0.45
F2 P00734 1/20 0.44

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
SCHEMBL6187849 1.00 MAOA (0.52) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6186380 0.91 MAOA (0.51) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3579038 0.90 MAOA (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3579040 0.90 MAOA (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6184704 0.88 MAOA (0.69) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6184707 0.88 MAOA (0.69) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6851743 0.84 MAOA (0.65) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3573928 0.83 MAOA (0.61) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3567694 0.83 MAOA (0.61) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5105345 0.83 MAOA (0.55) MAOAMAOBLMNAPTGS1CALML3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565461-A2 ANTIBACTERIAL SUBSTITUTED CYANOMETHYL(ENE)PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Patel, Mahesh V. (IN) 2005-08-24 EP disclosed
WO-2004007489-A2 ANTIBACTERIAL SUBSTITUTED CYANOMETHYL (ENE) PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS OR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WOCKHARDT LIMITED (IN) 2004-01-22 WO disclosed