SCHEMBL8304945

SCHEMBL8304945

CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)COC(=O)CCN4CCOCC4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.70
MAOA P21397 6/20 0.70
PTGS1 P23219 2/20 0.70
SDHA P31040 2/20 0.70
LMNA P02545 1/20 0.70
CALML3 P27482 1/20 0.70
F10 P00742 3/20 0.54
TOP2B Q02880 1/20 0.49

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
SCHEMBL7484787 0.92 MAOB (0.78) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7484783 0.92 MAOB (0.78) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8307158 0.91 MAOA (0.55) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8303747 0.90 MAOA (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8307467 0.89 MAOB (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7484599 0.88 MAOB (0.88) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7484589 0.88 MAOB (0.88) MAOBMAOAPTGS1SDHALMNA
Eperezolid SCHEMBL7497950 0.86 MAOB (0.85) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8307137 0.86 MAOA (0.62) MAOBMAOAPTGS1SDHALMNA
SCHEMBL13694074 0.84 MAOB (0.73) 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-0730591-B1 ESTERS OF SUBSTITUTED-HYDROXYACETYL PIPERAZINE PHENYL OXAZOLIDINONES UPJOHN CO (US) 1999-07-14 EP claimed