SCHEMBL8138685

SCHEMBL8138685

CC(=O)NC[C@H]1CN(c2ccc(C3=C(C#N)[C@@H](COC(=O)c4ccccc4)NC3)cc2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.41
MAOB P27338 2/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
ABCB11 O95342 1/20 0.41
F10 P00742 5/20 0.40
ITGB3 P05106 4/20 0.39
PRSS1 P07477 4/20 0.39
PRSS2 P07478 4/20 0.39
ITGA2B P08514 4/20 0.39
PRSS3 P35030 4/20 0.39
CMA1 P23946 1/20 0.38

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
SCHEMBL8139879 0.88 MAOA (0.41) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8135134 0.87 MAOA (0.41) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8125506 0.83 MAOA (0.42) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7123620 0.81 MAOA (0.43) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7121072 0.79 MAOA (0.41) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550299 0.77 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550276 0.77 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8140841 0.76 MAOA (0.43) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8156673 0.76 MAOA (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8140352 0.76 MAOA (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005468-A1 ANTIBIOTIC OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 2000-06-07 EP claimed
WO-1999010342-A1 ANTIBIOTIC OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 1999-03-04 WO claimed
EP-1005468-A1 ANTIBIOTIC OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 2000-06-07 EP disclosed
WO-1999010342-A1 ANTIBIOTIC OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 1999-03-04 WO disclosed