SCHEMBL8646554

SCHEMBL8646554

CC(=O)NC[C@H]1CN(c2ccc(C3=CCN(C(=O)CSS(C)(=O)=O)CC3)cc2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.45
MAOB P27338 2/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
F10 P00742 9/20 0.44
ABCB11 O95342 1/20 0.41

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
SCHEMBL7520241 0.91 MAOA (0.48) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7519248 0.87 MAOA (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6400513 0.87 MAOA (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6400506 0.87 MAOA (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8646551 0.85 MAOA (0.46) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7529132 0.84 F10 (0.48) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6397247 0.84 MAOA (0.48) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6397251 0.84 MAOA (0.48) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6402405 0.83 MAOA (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6402400 0.83 MAOA (0.49) 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-0882042-A1 ANTIBIOTIC OXAZOLIDINONE DERIVATIVES AstraZeneca UK Limited (GB) 1998-12-09 EP claimed
WO-1997030995-A1 ANTIBIOTIC OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 1997-08-28 WO claimed