SCHEMBL21634786

SCHEMBL21634786

O=C1OC(CN(C(=O)O)c2ccon2)CN1c1cc(F)c(N2CCC3(CC2)CS(O)(O)C3)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.40
MAOB P27338 7/20 0.36
CALML3 P27482 3/20 0.35
CYP2E1 P05181 1/20 0.34
F10 P00742 6/20 0.34
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
SDHA P31040 1/20 0.33

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
SCHEMBL21634783 0.94 MAOA (0.38) MAOAMAOBCALML3CYP2E1F10
SCHEMBL2897203 0.81 CALML3 (0.42) MAOAMAOBCALML3F10LMNA
SCHEMBL21634693 0.81 MAOA (0.54) MAOAMAOBCALML3CYP2E1F10
SCHEMBL21634712 0.78 MAOA (0.49) MAOAMAOBCALML3F10LMNA
SCHEMBL21634709 0.78 MAOA (0.49) MAOAMAOBCALML3F10LMNA
SCHEMBL21690972 0.78 MAOB (0.35) MAOAMAOBCALML3CYP2E1F10
SCHEMBL21635031 0.78 MAOA (0.51) MAOAMAOBCALML3F10LMNA
SCHEMBL21634710 0.77 MAOA (0.47) MAOAMAOBCALML3F10LMNA
SCHEMBL6625397 0.76 F10 (0.53) MAOAMAOBCALML3F10LMNA
SCHEMBL20333808 0.75 MAOA (0.48) MAOAMAOBCALML3F10LMNA

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-2020021468-A1 SUBSTITUTED OXAZOLIDINONES FOR THE TREATMENT OF MAMMALIAN INFECTIONS CADILA HEALTHCARE LIMITED (IN) 2020-01-30 WO disclosed