SCHEMBL7945900

SCHEMBL7945900

CC(=O)NCC1CN(c2cc(C(F)(F)F)c(-c3ccncc3)c(C(F)(F)F)c2)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.50
MAOB P27338 2/20 0.50
CALML3 P27482 2/20 0.50
LMNA P02545 1/20 0.50
PTGS1 P23219 1/20 0.50
SDHA P31040 1/20 0.50
CMA1 P23946 2/20 0.46
F10 P00742 3/20 0.44
ABCB11 O95342 1/20 0.43

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
SCHEMBL7949620 0.90 MAOA (0.52) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL9368026 0.89 MAOA (0.47) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL7945892 0.89 MAOA (0.56) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL7947008 0.87 MAOA (0.60) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL8489333 0.87 MAOA (0.60) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL7945901 0.85 MAOA (0.50) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL7945884 0.83 MAOA (0.49) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL8489161 0.82 MAOA (0.55) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL8489164 0.82 MAOA (0.55) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL7944591 0.81 MAOA (0.54) MAOAMAOBCALML3LMNAPTGS1

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