SCHEMBL13367805

SCHEMBL13367805

NC[C@H]1CN(c2cc(F)c(N3CCNN(S(=O)(=O)CCO)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.43
CALML3 P27482 7/20 0.37
F10 P00742 2/20 0.37
MAOB P27338 6/20 0.35
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
SDHA P31040 1/20 0.33

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
SCHEMBL13357889 0.89 MAOB (0.48) MAOACALML3F10MAOBLMNA
SCHEMBL10152091 0.86 MAOA (0.50) MAOACALML3F10MAOBLMNA
SCHEMBL10152094 0.85 F10 (0.40) MAOACALML3F10MAOBLMNA
SCHEMBL13368007 0.82 CALML3 (0.43) MAOACALML3F10MAOBLMNA
SCHEMBL13981117 0.80 MAOA (0.48) MAOACALML3F10MAOBLMNA
SCHEMBL13981014 0.79 CYP3A4 (0.39) MAOACALML3F10MAOB
SCHEMBL13367945 0.79 MAOA (0.45) MAOACALML3F10MAOBLMNA
SCHEMBL13357801 0.79 MAOA (0.48) MAOACALML3F10MAOBLMNA
SCHEMBL10151829 0.76 MAOB (0.65) MAOACALML3F10MAOBLMNA
SCHEMBL10151988 0.76 MAOA (0.54) MAOACALML3F10MAOBLMNA

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-2181993-A1 Antimicrobial oxazolidinone derivatives Research Foundation Itsuu Laboratory (JP) 2010-05-05 EP disclosed
EP-2009012-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING Research Foundation Itsuu Laboratory (JP) 2008-12-31 EP disclosed