SCHEMBL6530598

SCHEMBL6530598

CC(=O)N(C[C@@H]1CN(c2cc(F)c(N3CCN(c4ccc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.42
MAOA P21397 6/20 0.40
CALML3 P27482 3/20 0.37
LMNA P02545 1/20 0.37
PTGS1 P23219 1/20 0.37
SDHA P31040 1/20 0.37
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
PSMD14 O00487 1/20 0.35
F10 P00742 5/20 0.35
NR1D1 P20393 2/20 0.35
MEN1 O00255 1/20 0.35

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 0.84 MAOA (0.56) MAOBMAOACALML3LMNAPTGS1
SCHEMBL6510027 0.84 MAOA (0.56) MAOBMAOACALML3LMNAPTGS1
SCHEMBL6512456 0.82 MAOA (0.42) MAOBMAOACALML3KMT2AALDH1A1
SCHEMBL6530599 0.81 MAOB (0.44) MAOBMAOACALML3LMNAPTGS1
SCHEMBL27614703 0.81 MAOB (0.55) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5808176 0.76 MAOB (0.51) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5726750 0.75 MAOA (0.70) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5726745 0.75 MAOA (0.70) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5807776 0.75 MAOB (0.51) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5813692 0.75 MAOB (0.46) MAOBMAOACALML3LMNAPTGS1

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