SCHEMBL13368017

SCHEMBL13368017

CC(=O)CN1CCN(c2ccc(N3C[C@H](CN)OC3=O)cc2F)CCO1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.59
MAOA P21397 6/20 0.59
PTGS1 P23219 2/20 0.59
SDHA P31040 2/20 0.59
LMNA P02545 1/20 0.59
CALML3 P27482 1/20 0.59
F10 P00742 6/20 0.49

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
SCHEMBL13368020 0.90 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL13357936 0.89 MAOB (0.55) MAOBMAOAPTGS1SDHALMNA
SCHEMBL10152236 0.89 MAOB (0.77) MAOBMAOAPTGS1SDHALMNA
SCHEMBL10152237 0.86 MAOB (0.65) MAOBMAOAPTGS1SDHALMNA
SCHEMBL13367811 0.85 MAOB (0.51) MAOBMAOAPTGS1SDHALMNA
Acetic Acid SCHEMBL1338393 0.85 MAOB (0.74) MAOBMAOAPTGS1SDHALMNA
Acetic Acid SCHEMBL1338391 0.85 MAOB (0.74) MAOBMAOAPTGS1SDHALMNA
SCHEMBL13357965 0.84 MAOB (0.58) MAOBMAOAPTGS1SDHALMNA
SCHEMBL13367867 0.84 MAOB (0.57) MAOBMAOAPTGS1SDHALMNA
SCHEMBL13358149 0.83 MAOB (0.58) MAOBMAOAPTGS1SDHALMNA

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-2181993-A1 Antimicrobial oxazolidinone derivatives Research Foundation Itsuu Laboratory (JP) 2010-05-05 EP disclosed