SCHEMBL4379544

SCHEMBL4379544

COC(=O)C1CN(c2ccc(N3CCCOCC3)cc2)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.50
F10 P00742 4/20 0.46
MAPT P10636 6/20 0.44
MAOB P27338 2/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
CALML3 P27482 1/20 0.43
SDHA P31040 1/20 0.43
GRM2 Q14416 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4376186 0.87 MAOB (0.62) MAOAF10MAOBLMNAPTGS1
SCHEMBL13632912 0.86 MAOA (0.47) MAOAF10MAPTMAOBLMNA
SCHEMBL4384627 0.86 MAOA (0.47) MAOAF10MAPTMAOBLMNA
SCHEMBL4378718 0.86 MAOA (0.71) MAOAF10MAOBLMNAPTGS1
SCHEMBL13632910 0.85 MAOA (0.63) MAOAF10MAPTMAOBLMNA
SCHEMBL4378817 0.85 MAOA (0.63) MAOAF10MAPTMAOBLMNA
SCHEMBL4389905 0.79 F10 (0.44) MAOAF10MAPTMAOBLMNA
SCHEMBL4380844 0.78 MAOA (0.55) MAOAF10MAOBLMNAPTGS1
SCHEMBL4388934 0.77 MAOA (0.45) MAOAF10MAPTMAOBLMNA
SCHEMBL4965827 0.77 F10 (0.53) 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 3 patents. 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 disclosed
EP-1899331-A1 HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2008-03-19 EP disclosed
WO-2007000644-A1 HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-04 WO disclosed