SCHEMBL5326899

SCHEMBL5326899

CCOC1CN(c2c(F)cc(N3C[C@H](CNC(=O)O)OC3=O)cc2F)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.49
MAOB P27338 3/20 0.49
LMNA P02545 1/20 0.49
PTGS1 P23219 1/20 0.49
CALML3 P27482 1/20 0.49
SDHA P31040 1/20 0.49
F10 P00742 4/20 0.44
ITGB3 P05106 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
ITGA2B P08514 2/20 0.42
PRSS3 P35030 2/20 0.42

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
SCHEMBL5285317 0.93 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5330385 0.91 MAOA (0.48) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5329977 0.90 MAOA (0.51) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5424286 0.85 MAOA (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5281829 0.85 MAOA (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5301829 0.85 MAOA (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5325706 0.85 MAOA (0.48) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5328079 0.82 MAOA (0.59) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5329301 0.82 MAOA (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5326903 0.82 MAOA (0.42) MAOAMAOBLMNAPTGS1CALML3

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
WO-2007004049-A1 OXAZOLIDINONES CONTAINING AZETIDINE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-11 WO disclosed