SCHEMBL7260839

SCHEMBL7260839

NC(=O)CNCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.73
MAOA P21397 5/20 0.73
PTGS1 P23219 2/20 0.73
SDHA P31040 2/20 0.73
LMNA P02545 1/20 0.73
CALML3 P27482 1/20 0.73
F10 P00742 7/20 0.64

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
Hydrochloric Acid SCHEMBL7260983 0.99 MAOB (0.72) MAOBMAOAPTGS1SDHALMNA
SCHEMBL15142008 0.90 MAOB (0.77) MAOBMAOAPTGS1SDHALMNA
SCHEMBL14611817 0.86 MAOB (0.75) MAOBMAOAPTGS1SDHALMNA
SCHEMBL19827260 0.86 MAOB (0.72) MAOBMAOAPTGS1SDHALMNA
SCHEMBL23699719 0.86 MAOB (0.78) MAOBMAOAPTGS1SDHALMNA
SCHEMBL20333312 0.86 MAOB (0.74) MAOBMAOAPTGS1SDHALMNA
SCHEMBL23699721 0.86 MAOB (0.78) MAOBMAOAPTGS1SDHALMNA
Linezolid SCHEMBL17964217 0.86 MAOB (0.94) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6161322 0.85 MAOB (0.77) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6161321 0.85 MAOB (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003093247-A2 ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-11-13 WO claimed