SCHEMBL29844897

SCHEMBL29844897

CCc1c(-c2ccnc(C)c2)[nH]c2ccc(O[C@H]3CCNC3)cc12

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 20/20 0.67
▸ TLR7 Q9NYK1 20/20 0.67
▸ TLR9 Q9NR96 19/20 0.67

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
SCHEMBL23066394 1.00 TLR8 (0.67) TLR8TLR7TLR9
SCHEMBL23066392 1.00 TLR8 (0.67) TLR8TLR7TLR9
SCHEMBL21063048 0.95 TLR8 (0.71) TLR8TLR7TLR9
SCHEMBL29844902 0.95 TLR8 (0.71) TLR8TLR7TLR9
SCHEMBL23066330 0.86 TLR8 (0.70) TLR8TLR7TLR9
SCHEMBL29844808 0.86 TLR8 (0.70) TLR8TLR7TLR9
SCHEMBL21062564 0.85 TLR9 (0.72) TLR8TLR7TLR9
SCHEMBL21062188 0.85 TLR9 (0.66) TLR8TLR7TLR9
SCHEMBL21062186 0.85 TLR9 (0.66) TLR8TLR7TLR9
SCHEMBL29844925 0.85 TLR9 (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111527080-B Substituted indole ether compounds 百时美施贵宝公司 2023-09-22 — — CN claimed
EP-3724183-B1 SUBSTITUTED INDOLE ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-08-17 — — EP claimed
CN-111527080-B Substituted indole ether compounds 百时美施贵宝公司 2023-09-22 — — CN disclosed
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