SCHEMBL5796098

SCHEMBL5796098

CN(C)C(=S)NC[C@H]1CN(c2ccc(N3CCN(c4ccc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.55
MAOA P21397 3/20 0.55
LMNA P02545 1/20 0.53
PTGS1 P23219 1/20 0.53
CALML3 P27482 1/20 0.53
SDHA P31040 1/20 0.53
F10 P00742 14/20 0.51

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
SCHEMBL6512465 0.92 MAOB (0.60) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6508333 0.91 MAOB (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5796682 0.90 MAOB (0.55) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5814374 0.90 MAOB (0.55) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5726750 0.89 MAOA (0.70) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5726745 0.89 MAOA (0.70) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5799311 0.88 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5812478 0.88 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6530418 0.88 MAOB (0.58) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6530420 0.88 MAOB (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006043121-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-27 WO disclosed