SCHEMBL4757116

SCHEMBL4757116

CNC(=O)[C@H]1CN(c2cc(F)c(N3CC4(C3)CS(=O)(=O)C4)c(F)c2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.49
LRRK2 Q5S007 1/20 0.36
MAOB P27338 4/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
CALML3 P27482 1/20 0.33
SDHA P31040 1/20 0.33
F10 P00742 2/20 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
SCHEMBL4757118 0.92 MAOA (0.52) MAOAMAOBGRIN1GRIN2BLMNA
SCHEMBL4758473 0.88 MAOA (0.64) MAOALRRK2MAOBLMNAPTGS1
SCHEMBL13515460 0.85 MAOA (0.57) MAOAMAOBGRIN1GRIN2BLMNA
SCHEMBL13855705 0.81 MAOA (0.53) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL4240451 0.81 MAOA (0.53) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3042118 0.81 MAOA (0.55) MAOAMAOBGRIN1GRIN2BLMNA
SCHEMBL3029035 0.80 MAOA (0.76) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL4758477 0.80 MAOA (0.65) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3028973 0.79 MAOA (0.58) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3033057 0.79 MAOA (0.53) MAOAMAOBGRIN1GRIN2BLMNA

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-1902048-A1 OXAZOLIDINONE CARBOXAMIDES CONTAINING AZETIDINE AND CYCLOBUTANE AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2008-03-26 EP claimed
WO-2007004037-A1 OXAZOLIDINONE CARBOXAMIDES CONTAINING AZETIDINE AND CYCLOBUTANE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-11 WO claimed
EP-1902026-A2 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) ELI LILLY AND COMPANY (US) 2008-03-26 EP disclosed
WO-2007002181-A2 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) ELI LILLY AND COMPANY (US) 2007-01-04 WO disclosed