SCHEMBL8168992

SCHEMBL8168992

CCC(=O)NC[C@H]1CN(c2ccc(C3CC[S+]([O-])CC3)c(F)c2)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
MAOA P21397 6/20 0.49
LMNA P02545 1/20 0.49
PTGS1 P23219 1/20 0.49
CALML3 P27482 1/20 0.49
SDHA P31040 1/20 0.49
F10 P00742 10/20 0.48

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
SCHEMBL8169547 1.00 MAOB (0.50) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8168995 1.00 MAOB (0.50) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6966649 1.00 MAOB (0.50) MAOBMAOALMNAPTGS1CALML3
Water SCHEMBL6179936 0.99 MAOB (0.49) MAOBMAOALMNAPTGS1CALML3
SCHEMBL1176221 0.91 MAOA (0.60) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6164776 0.91 MAOA (0.60) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6164308 0.91 MAOA (0.60) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6164310 0.91 MAOA (0.60) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8172589 0.90 MAOB (0.62) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8168783 0.90 MAOB (0.62) 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
US-6083967-A ANTIMICROBIAL AGENTS; ASSAY FOR DETERMINING THE INHIBITORY ACTIVITY OF OXAZOLIDINONES TO HUMAN MONOAMINE OXIDASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-04 US claimed
US-6083967-A ANTIMICROBIAL AGENTS; ASSAY FOR DETERMINING THE INHIBITORY ACTIVITY OF OXAZOLIDINONES TO HUMAN MONOAMINE OXIDASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-04 US disclosed