SCHEMBL6991870

SCHEMBL6991870

C=CC(=O)NCC1CN(c2ccc(N3CCc4ccccc4C3)c(F)c2)C(=O)O1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.56
MAOA P21397 3/20 0.56
LMNA P02545 1/20 0.56
PTGS1 P23219 1/20 0.56
CALML3 P27482 1/20 0.56
SDHA P31040 1/20 0.56
F10 P00742 15/20 0.53

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
SCHEMBL6991863 1.00 MAOB (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7090493 1.00 MAOB (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7092829 0.90 MAOB (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7093951 0.90 MAOB (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7092827 0.90 MAOB (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL27535197 0.89 MAOA (0.71) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7091009 0.87 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7086323 0.87 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7091406 0.86 MAOB (0.55) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7087557 0.85 MAOB (0.56) MAOBMAOALMNAPTGS1CALML3

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
WO-2003106454-A1 1H-ISOQUINOLINE-OXAZOLIDINONE DERIVATIES AND THEIR USE AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-12-24 WO claimed
WO-2003106454-A1 1H-ISOQUINOLINE-OXAZOLIDINONE DERIVATIES AND THEIR USE AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-12-24 WO disclosed