SCHEMBL4756911

SCHEMBL4756911

O=C(O)C1CN(c2cc(F)c(N3CC(F)(F)C3)c(F)c2)C(=O)O1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.58
CALML3 P27482 6/20 0.35
TSHR P16473 1/20 0.34
MAOB P27338 7/20 0.34
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.34
SDHA P31040 1/20 0.34
F10 P00742 1/20 0.33
FADS1 O60427 1/20 0.32

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
SCHEMBL4790680 1.00 MAOA (0.58) MAOACALML3TSHRMAOBLMNA
SCHEMBL4756635 0.90 MAOA (0.71) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4759266 0.86 MAOA (0.54) MAOACALML3TSHRMAOBLMNA
SCHEMBL5764017 0.85 MAOA (0.60) MAOACALML3TSHRMAOBLMNA
SCHEMBL4759106 0.85 MAOA (0.60) MAOACALML3TSHRMAOBLMNA
SCHEMBL4757260 0.85 MAOB (0.47) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5765718 0.83 MAOA (0.82) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3031991 0.83 MAOA (0.82) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5765886 0.82 MAOA (0.63) MAOACALML3TSHRMAOBLMNA
SCHEMBL5765919 0.81 MAOA (0.65) MAOACALML3TSHRMAOBLMNA

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-1902048-A1 OXAZOLIDINONE CARBOXAMIDES CONTAINING AZETIDINE AND CYCLOBUTANE AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2008-03-26 EP disclosed
WO-2007004037-A1 OXAZOLIDINONE CARBOXAMIDES CONTAINING AZETIDINE AND CYCLOBUTANE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-11 WO disclosed