SCHEMBL29626555

SCHEMBL29626555

CCc1c(-c2ccnc(C)c2)[nH]c2ccc(C(=O)N(CC)CCN(C)C)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 19/20 1.00
▸ TLR8 Q9NR97 19/20 1.00
▸ TLR7 Q9NYK1 19/20 1.00
▸ GNRHR P30968 1/20 0.50

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
SCHEMBL22554574 1.00 TLR9 (1.00) TLR9TLR8TLR7GNRHR
SCHEMBL22554690 0.82 TLR9 (0.70) TLR9TLR8TLR7
SCHEMBL30467011 0.82 TLR9 (0.70) TLR9TLR8TLR7
SCHEMBL22554498 0.81 TLR7 (1.00) TLR9TLR8TLR7
SCHEMBL30466885 0.81 TLR7 (1.00) TLR9TLR8TLR7
SCHEMBL22554600 0.80 TLR8 (1.00) TLR9TLR8TLR7GNRHR
SCHEMBL30466886 0.80 TLR8 (1.00) TLR9TLR8TLR7GNRHR
SCHEMBL22554681 0.80 TLR8 (0.66) TLR9TLR8TLR7
SCHEMBL30466997 0.80 TLR8 (0.66) TLR9TLR8TLR7
SCHEMBL22554604 0.80 TLR9 (1.00) TLR9TLR8TLR7GNRHR

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
EP-3728221-B1 AMIDE SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-01 — — EP claimed
CN-111511730-B Amide substituted indole compounds useful as TLR inhibitors 百时美施贵宝公司 2023-07-25 — — CN disclosed
EP-3728221-B1 AMIDE SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-01 — — EP disclosed
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