SCHEMBL7132802

SCHEMBL7132802

CC(=O)NCC1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)nc2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.45
POLB P06746 1/20 0.44
MAOA P21397 4/20 0.43
MAOB P27338 2/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
CALML3 P27482 1/20 0.43
SDHA P31040 1/20 0.43
ABCB11 O95342 1/20 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
SCHEMBL6827555 0.93 POLB (0.44) F10POLBMAOAMAOBLMNA
SCHEMBL6827550 0.93 POLB (0.44) F10POLBMAOAMAOBLMNA
SCHEMBL7127423 0.92 F10 (0.45) F10POLB
SCHEMBL7127433 0.91 F10 (0.43) F10POLB
SCHEMBL6824189 0.91 F10 (0.43) F10POLB
SCHEMBL7127429 0.91 F10 (0.43) F10POLB
SCHEMBL6255771 0.86 F10 (0.46) F10POLBMAOAMAOBLMNA
SCHEMBL6922822 0.85 F10 (0.48) F10MAOAMAOBLMNAPTGS1
Ranbezolid SCHEMBL29812429 0.83 MAOB (0.65) F10POLBMAOAMAOBLMNA
Ranbezolid SCHEMBL14345154 0.83 MAOB (0.65) F10POLBMAOAMAOBLMNA

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-2004009587-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-01-29 WO claimed