SCHEMBL7944591

SCHEMBL7944591

CC(=O)NCC1CN(c2ccc(-c3cccnc3)c(C(F)(F)F)c2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.54
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAOB P27338 2/20 0.51
CALML3 P27482 2/20 0.51
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.51
SDHA P31040 1/20 0.51
CMA1 P23946 2/20 0.47
F10 P00742 2/20 0.44
ABCB11 O95342 1/20 0.44

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
SCHEMBL9368026 0.90 MAOA (0.47) MAOACYP3A4CYP2D6MAOBCALML3
SCHEMBL7945892 0.90 MAOA (0.56) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL7938083 0.90 MAOA (0.56) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL8484607 0.88 MAOA (0.66) MAOACYP3A4CYP2D6MAOBCALML3
SCHEMBL7949645 0.88 MAOA (0.66) MAOACYP3A4CYP2D6MAOBCALML3
SCHEMBL7938096 0.86 MAOA (0.54) MAOACYP3A4CYP2D6MAOBCALML3
SCHEMBL7945883 0.86 MAOA (0.54) MAOACYP3A4CYP2D6MAOBCALML3
SCHEMBL21324902 0.84 ABCB11 (0.51) MAOACYP3A4CYP2D6MAOBCALML3
SCHEMBL10423881 0.84 ABCB11 (0.51) MAOACYP3A4CYP2D6MAOBCALML3
SCHEMBL8339574 0.83 MAOA (0.51) MAOACYP3A4CYP2D6MAOBCALML3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3176626-B2 2001-06-18 JP claimed
US-5565571-A BACTERICIDES THE UPJOHN COMPANY (US) 1996-10-15 US 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