SCHEMBL7699780

SCHEMBL7699780

CC(C)(C)OC(=O)N(CC1CN(c2cc(F)c(C3=CCSCC3)c(F)c2)C(=O)O1)c1ccon1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.37
MAOB P27338 5/20 0.36
F10 P00742 4/20 0.32
CALML3 P27482 4/20 0.32
LMNA P02545 1/20 0.32
PTGS1 P23219 1/20 0.32
SDHA P31040 1/20 0.32
KCNH2 Q12809 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
SCHEMBL7699782 1.00 MAOA (0.37) MAOAMAOBF10CALML3LMNA
SCHEMBL7699258 0.92 MAOA (0.46) MAOAMAOBCALML3
SCHEMBL7699259 0.92 MAOA (0.46) MAOAMAOBCALML3
Hydrochloric Acid SCHEMBL5832707 0.86 MAOA (0.38) MAOAMAOBF10CALML3LMNA
SCHEMBL5833316 0.84 MAOB (0.35) MAOAMAOBF10CALML3LMNA
SCHEMBL7700862 0.83 MAOA (0.44) MAOAMAOBF10CALML3
SCHEMBL13298877 0.82 MAOA (0.47) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL7699085 0.81 MAOA (0.42) MAOAMAOBF10CALML3LMNA
SCHEMBL3325808 0.81 MAOB (0.42) MAOAMAOBF10CALML3LMNA
SCHEMBL3325810 0.81 MAOB (0.42) MAOAMAOBF10CALML3LMNA

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-2002081469-A1 OXAZOLIDINONE-SULFOXIMINES AND -SULFILIMINES AS ANTIBIOTICS ASTRAZENECA AB (SE) 2002-10-17 WO disclosed