SCHEMBL6973226

SCHEMBL6973226

CC(=S)NC[C@H]1CN(c2cccc3c2N(C=O)[C@H](C)CC3)C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.37
MAOB P27338 4/20 0.37
LMNA P02545 1/20 0.37
PTGS1 P23219 1/20 0.37
CALML3 P27482 1/20 0.37
SDHA P31040 1/20 0.37
F10 P00742 9/20 0.34
ITGB3 P05106 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
ITGA2B P08514 2/20 0.33
PRSS3 P35030 2/20 0.33
GRM2 Q14416 1/20 0.32

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
SCHEMBL6965059 0.92 MAOA (0.43) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6040470 0.81 MAOB (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6973150 0.78 MAOA (0.42) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6040829 0.75 MAOB (0.52) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6040386 0.73 MAOA (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6968441 0.73 MAOA (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7953617 0.72 MAOB (0.58) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6974618 0.72 MAOA (0.50) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6974624 0.72 MAOA (0.50) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6040490 0.72 MAOB (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181288-B1 BICYCLIC OXAZOLIDINONES AS ANTIBACTERIAL AGENT UPJOHN CO (US) 2003-07-30 EP claimed