SCHEMBL7949620

SCHEMBL7949620

CC(=O)NCC1CN(c2cc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.52
MAOB P27338 3/20 0.52
LMNA P02545 1/20 0.52
PTGS1 P23219 1/20 0.52
CALML3 P27482 1/20 0.52
SDHA P31040 1/20 0.52
CMA1 P23946 2/20 0.51
F10 P00742 4/20 0.48

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
SCHEMBL7945900 0.90 MAOA (0.50) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9368026 0.89 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7938083 0.88 MAOA (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7945894 0.87 MAOA (0.62) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7938086 0.85 F10 (0.53) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7945878 0.83 MAOA (0.50) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550276 0.82 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550299 0.82 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6097066 0.81 F10 (0.64) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL27951203 0.81 F10 (0.64) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3176626-B2 2001-06-18 JP claimed
EP-0610265-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS. UPJOHN CO (US) 1994-08-17 EP claimed
WO-1993009103-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1993-05-13 WO claimed
EP-0610265-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS. UPJOHN CO (US) 1994-08-17 EP disclosed
WO-1993009103-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1993-05-13 WO disclosed