SCHEMBL30510940

SCHEMBL30510940

O=S1(=O)COc2cc(-c3ccc(OCC4CN(c5ncc(Cl)cn5)C4)c(F)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.37
▸ GPR119 Q8TDV5 4/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ FFAR4 Q5NUL3 6/20 0.32
▸ TLR9 Q9NR96 4/20 0.32
▸ TLR8 Q9NR97 4/20 0.32
▸ TLR7 Q9NYK1 4/20 0.32
▸ JAK3 P52333 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ FEN1 P39748 1/20 0.30

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
SCHEMBL21380995 1.00 SCN9A (0.37) SCN9AGPR119KCNH2FFAR4TLR9
SCHEMBL21381016 0.94 GPR119 (0.36) SCN9AGPR119KCNH2FFAR4MGLL
SCHEMBL21381015 0.94 GPR119 (0.36) SCN9AGPR119KCNH2FFAR4MGLL
SCHEMBL21381023 0.92 GPR119 (0.39) GPR119KCNH2FFAR4TLR9TLR8
SCHEMBL21381111 0.85 GPR119 (0.39) GPR119KCNH2FFAR4TLR9TLR8
SCHEMBL30510942 0.84 GPR119 (0.45) GPR119FFAR4
SCHEMBL21381031 0.84 GPR119 (0.45) GPR119FFAR4
SCHEMBL21381029 0.84 GPR119 (0.45) GPR119FFAR4
SCHEMBL21398052 0.83 GPR119 (0.34) GPR119KCNH2FFAR4TLR9TLR8
SCHEMBL21398243 0.83 GPR119 (0.34) GPR119KCNH2FFAR4TLR9TLR8

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
EP-3468967-B1 COMPOUNDS CONTAINING BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 PRAMANA PHARMACEUTICALS INC (CA) 2023-07-26 — — EP disclosed
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