SCHEMBL6822916

SCHEMBL6822916

CC(=O)Nc1ccc(C(=O)CCC(=O)NCC2CN(c3ccccc3C3CCNC[C@H]3F)C(=O)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.40
MAOA P21397 4/20 0.34
MAOB P27338 2/20 0.34
LMNA P02545 2/20 0.34
PTGS1 P23219 1/20 0.34
CALML3 P27482 1/20 0.34
SDHA P31040 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NAMPT P43490 1/20 0.32
ITGB3 P05106 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
ITGA2B P08514 2/20 0.32
PRSS3 P35030 2/20 0.32
SIRT1 Q96EB6 1/20 0.31
ABCB11 O95342 1/20 0.31

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
SCHEMBL3524540 1.00 F10 (0.40) F10MAOAMAOBLMNAPTGS1
SCHEMBL3523459 0.91 L3MBTL1 (0.35) F10MAOAMAOBLMNAPTGS1
SCHEMBL3524012 0.91 F10 (0.36) F10MAOAMAOBLMNAPTGS1
SCHEMBL3525596 0.90 F10 (0.38) F10ITGB3ITGA2BABCB11
SCHEMBL3525099 0.89 GRM2 (0.37) LMNAMEN1KMT2A
SCHEMBL6823337 0.87 PARP1 (0.35) F10MAOB
SCHEMBL3526042 0.87 PARP1 (0.35) F10MAOB
SCHEMBL3522663 0.85 TSHR (0.35) F10MAOAMAOBLMNAPTGS1
SCHEMBL3522293 0.83 F10 (0.41) F10MAOBMEN1KMT2A
SCHEMBL3521790 0.83 ALDH1A1 (0.35) F10MAOB

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-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 WO claimed