SCHEMBL4388934

SCHEMBL4388934

NC(=O)OC1CN(c2ccc(N3CCCOCC3)cc2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.45
F10 P00742 3/20 0.44
MAOB P27338 3/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
CALML3 P27482 1/20 0.39
SDHA P31040 1/20 0.39
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
PRKDC P78527 1/20 0.37
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL4391789 0.87 MAOB (0.57) MAOAF10MAOBLMNAPTGS1
SCHEMBL4389905 0.85 F10 (0.44) MAOAF10MAOBLMNAPTGS1
SCHEMBL4381299 0.85 MAOA (0.67) MAOAF10MAOBLMNAPTGS1
SCHEMBL4378817 0.83 MAOA (0.63) MAOAF10MAOBLMNAPTGS1
SCHEMBL13632910 0.83 MAOA (0.63) MAOAF10MAOBLMNAPTGS1
SCHEMBL4380980 0.78 MAOA (0.50) MAOAF10MAOBLMNAPTGS1
SCHEMBL4379544 0.77 MAOA (0.50) MAOAF10MAOBLMNAPTGS1
SCHEMBL4965827 0.77 F10 (0.53) MAOAF10MAOBLMNAPTGS1
SCHEMBL13632912 0.74 MAOA (0.47) MAOAF10MAOBLMNAPTGS1
SCHEMBL4384627 0.74 MAOA (0.47) MAOAF10MAOBLMNAPTGS1

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-1899331-B1 HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2009-11-25 EP claimed