SCHEMBL6512456

SCHEMBL6512456

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
PSMD14 O00487 1/20 0.42
MEN1 O00255 1/20 0.41
F10 P00742 7/20 0.40
CALML3 P27482 4/20 0.38
MAOB P27338 2/20 0.37

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
SCHEMBL5799591 0.90 MAOB (0.48) MAOAF10CALML3MAOB
SCHEMBL6508885 0.90 MAOB (0.48) MAOAF10CALML3MAOB
SCHEMBL6530858 0.85 MAOA (0.56) MAOAF10CALML3MAOB
SCHEMBL6510027 0.85 MAOA (0.56) MAOAF10CALML3MAOB
SCHEMBL6530598 0.82 MAOB (0.42) MAOAKMT2AALDH1A1MAPTPSMD14
SCHEMBL6530599 0.82 MAOB (0.44) MAOAF10CALML3MAOB
SCHEMBL5808176 0.81 MAOB (0.51) MAOAF10CALML3MAOB
SCHEMBL5807573 0.78 MAOB (0.45) MAOAF10CALML3MAOB
SCHEMBL6510766 0.78 MAOB (0.45) MAOAF10CALML3MAOB
SCHEMBL5814097 0.77 MAOA (0.49) MAOAF10CALML3MAOB

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