SCHEMBL6530858

SCHEMBL6530858

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.56
MAOB P27338 2/20 0.56
PTGS1 P23219 2/20 0.55
SDHA P31040 2/20 0.55
LMNA P02545 1/20 0.55
CALML3 P27482 1/20 0.55
F10 P00742 7/20 0.46

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
SCHEMBL6510027 1.00 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5726750 0.91 MAOA (0.70) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5726745 0.91 MAOA (0.70) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6530599 0.89 MAOB (0.44) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6512456 0.85 MAOA (0.42) MAOAMAOBCALML3F10
SCHEMBL6512465 0.84 MAOB (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5943104 0.84 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5943100 0.84 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6530598 0.84 MAOB (0.42) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5799311 0.83 MAOB (0.59) MAOAMAOBPTGS1SDHALMNA

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