SCHEMBL6530599

SCHEMBL6530599

O=C(CC(F)(F)F)NCC1CN(c2cc(F)c(N3CCN(c4ccc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.44
MAOA P21397 3/20 0.44
F10 P00742 15/20 0.43
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
CALML3 P27482 1/20 0.42
SDHA P31040 1/20 0.42

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
SCHEMBL6530858 0.89 MAOA (0.56) MAOBMAOAF10LMNAPTGS1
SCHEMBL6510027 0.89 MAOA (0.56) MAOBMAOAF10LMNAPTGS1
SCHEMBL5943077 0.83 MAOB (0.57) MAOBMAOAF10LMNAPTGS1
SCHEMBL5943075 0.83 MAOB (0.57) MAOBMAOAF10LMNAPTGS1
SCHEMBL6512456 0.82 MAOA (0.42) MAOBMAOAF10CALML3
SCHEMBL6517203 0.82 F10 (0.57) MAOBMAOAF10LMNAPTGS1
SCHEMBL6509880 0.82 F10 (0.57) MAOBMAOAF10LMNAPTGS1
SCHEMBL6509829 0.82 F10 (0.57) MAOBMAOAF10LMNAPTGS1
SCHEMBL6509875 0.82 F10 (0.57) MAOBMAOAF10LMNAPTGS1
SCHEMBL6530598 0.81 MAOB (0.42) MAOBMAOAF10LMNAPTGS1

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-2005082899-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2005-09-09 WO claimed
WO-2005082899-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2005-09-09 WO disclosed