SCHEMBL30510953

SCHEMBL30510953

CCc1ccnc(N2CC[C@H](COc3ccc(-c4ccc5c(c4)OCS5(=O)=O)cc3F)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 11/20 0.37
▸ TTR P02766 7/20 0.37
▸ FFAR4 Q5NUL3 3/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ GRM2 Q14416 1/20 0.32
▸ IKBKE Q14164 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL21381045 1.00 RBP4 (0.37) RBP4TTRFFAR4GPR119GRM2
SCHEMBL21381046 1.00 RBP4 (0.37) RBP4TTRFFAR4GPR119GRM2
SCHEMBL21381029 0.86 GPR119 (0.45) RBP4TTRFFAR4GPR119
SCHEMBL21381031 0.86 GPR119 (0.45) RBP4TTRFFAR4GPR119
SCHEMBL30510942 0.86 GPR119 (0.45) RBP4TTRFFAR4GPR119
SCHEMBL21381015 0.83 GPR119 (0.36) RBP4TTRFFAR4GPR119
SCHEMBL21381016 0.83 GPR119 (0.36) RBP4TTRFFAR4GPR119
SCHEMBL21380999 0.82 RBP4 (0.36) RBP4TTRFFAR4GPR119IKBKE
SCHEMBL21380997 0.82 RBP4 (0.36) RBP4TTRFFAR4GPR119IKBKE
SCHEMBL21381004 0.82 RBP4 (0.36) RBP4TTRFFAR4GPR119IKBKE

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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