SCHEMBL13357983

SCHEMBL13357983

CC(=O)NC[C@H]1CN(c2ccc(N3CCON(C(=O)CC(=N)S)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.72
MAOA P21397 5/20 0.72
PTGS1 P23219 2/20 0.72
SDHA P31040 2/20 0.72
LMNA P02545 1/20 0.72
CALML3 P27482 1/20 0.72
F10 P00742 6/20 0.56

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
SCHEMBL13367880 0.92 MAOA (0.59) MAOBMAOAPTGS1SDHALMNA
SCHEMBL10152160 0.91 MAOB (0.76) MAOBMAOAPTGS1SDHALMNA
SCHEMBL10151644 0.91 MAOB (0.76) MAOBMAOAPTGS1SDHALMNA
SCHEMBL10152213 0.90 MAOB (0.75) MAOBMAOAPTGS1SDHALMNA
SCHEMBL10152328 0.90 MAOB (0.75) MAOBMAOAPTGS1SDHALMNA
SCHEMBL10152158 0.90 MAOB (0.80) MAOBMAOAPTGS1SDHALMNA
SCHEMBL10152215 0.89 MAOB (0.72) MAOBMAOAPTGS1SDHALMNA
SCHEMBL10152208 0.89 MAOB (0.72) MAOBMAOAPTGS1SDHALMNA
SCHEMBL10152219 0.88 MAOB (0.77) MAOBMAOAPTGS1SDHALMNA
SCHEMBL10152294 0.88 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
EP-2181994-A1 Antimicrobial compounds Research Foundation Itsuu Laboratory (JP) 2010-05-05 EP disclosed