SCHEMBL30643299

SCHEMBL30643299

Cc1cccc2c1nnn2CCCS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.48
SLC9A1 P19634 6/20 0.39
TLR8 Q9NR97 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL19911456 0.81 GRM2 (0.70) GRM2SLC9A1TLR8NPC1
SCHEMBL26618782 0.78 GRM2 (0.46) GRM2SLC9A1
SCHEMBL31305976 0.78 GRM2 (0.46) GRM2SLC9A1
SCHEMBL29901097 0.78 GRM2 (0.51) GRM2SLC9A1TLR8NPC1
SCHEMBL29901094 0.78 GRM2 (0.55) GRM2SLC9A1TLR8NPC1
SCHEMBL19911457 0.77 GRM2 (0.69) GRM2SLC9A1TLR8NPC1
SCHEMBL4233106 0.74 GRM2 (0.49) GRM2SLC9A1NPC1
SCHEMBL17828279 0.74 GRM2 (0.67) GRM2SLC9A1TLR8NPC1
SCHEMBL30620226 0.74 GRM2 (0.48) GRM2SLC9A1NPC1
SCHEMBL5685705 0.73 GRM2 (0.43) GRM2SLC9A1TLR8

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-2023210740-A1 BENZOTHIOPHENE COMPOUND 第一三共株式会社 2023-11-02 WO disclosed