SCHEMBL4757201

SCHEMBL4757201

O=C(O)[C@H]1CN(c2ccc(C3CC(O)C3)c(F)c2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.61
TSHR P16473 1/20 0.40
CALML3 P27482 6/20 0.39
MAOB P27338 5/20 0.37
LMNA P02545 1/20 0.37
PTGS1 P23219 1/20 0.37
SDHA P31040 1/20 0.37
FADS1 O60427 2/20 0.36
F10 P00742 2/20 0.36
HTR6 P50406 1/20 0.35

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
SCHEMBL4758960 0.91 MAOA (0.74) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4760026 0.87 MAOA (0.57) MAOATSHRCALML3MAOBLMNA
SCHEMBL5764719 0.84 MAOA (0.65) MAOATSHRCALML3MAOBLMNA
SCHEMBL6616513 0.84 MAOA (0.57) MAOATSHRCALML3MAOBLMNA
SCHEMBL6617209 0.84 MAOA (0.57) MAOATSHRCALML3MAOBLMNA
SCHEMBL4638720 0.82 TSHR (0.57) MAOATSHRCALML3MAOBLMNA
SCHEMBL4638728 0.82 TSHR (0.57) MAOATSHRCALML3MAOBLMNA
SCHEMBL6040319 0.82 MAOA (0.62) MAOATSHRCALML3MAOBLMNA
SCHEMBL5764982 0.82 MAOA (0.62) MAOATSHRCALML3MAOBLMNA
SCHEMBL6040367 0.82 MAOA (0.62) MAOATSHRCALML3MAOBLMNA

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