SCHEMBL7091009

SCHEMBL7091009

C=C(C)C(=O)NC[C@@H]1CN(c2ccc(N3CCc4ccccc4C3)c(F)c2)C(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.59
MAOA P21397 4/20 0.59
PTGS1 P23219 2/20 0.59
SDHA P31040 2/20 0.59
LMNA P02545 1/20 0.59
CALML3 P27482 1/20 0.59
F10 P00742 12/20 0.52

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
SCHEMBL7086323 1.00 MAOB (0.59) MAOBMAOAPTGS1SDHALMNA
SCHEMBL27535197 0.91 MAOA (0.71) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6991863 0.87 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6991870 0.87 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7090493 0.87 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7087557 0.86 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7092827 0.86 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7087558 0.86 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7092829 0.86 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7093951 0.86 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA

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