SCHEMBL29928391

SCHEMBL29928391

CCc1c(-c2ccnc(C)c2)[nH]c2ccc(CNC(=O)OCC3CCNCC3)cc12

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 20/20 0.60
▸ TLR7 Q9NYK1 20/20 0.60
▸ TLR9 Q9NR96 19/20 0.60

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
SCHEMBL22481897 1.00 TLR8 (0.60) TLR8TLR7TLR9
SCHEMBL22463265 0.87 TLR8 (0.65) TLR8TLR7TLR9
SCHEMBL29928582 0.87 TLR8 (0.65) TLR8TLR7TLR9
SCHEMBL22463619 0.84 TLR9 (0.64) TLR8TLR7TLR9
SCHEMBL29928972 0.84 TLR9 (0.64) TLR8TLR7TLR9
SCHEMBL22463621 0.82 TLR8 (0.58) TLR8TLR7TLR9
SCHEMBL23066330 0.80 TLR8 (0.70) TLR8TLR7TLR9
SCHEMBL29844808 0.80 TLR8 (0.70) TLR8TLR7TLR9
SCHEMBL22463533 0.80 TLR9 (0.65) TLR8TLR7TLR9
SCHEMBL29929100 0.80 TLR9 (0.65) TLR8TLR7TLR9

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-3728225-B1 SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-11-09 — — EP claimed
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