SCHEMBL28725617

SCHEMBL28725617

COCCCCCN1CCC(N2CCC(c3ccc4[nH]c(-c5ccc(OC)c(OC)c5)c(C)c4c3)CC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 19/20 0.75
▸ TLR9 Q9NR96 19/20 0.75
▸ TLR8 Q9NR97 3/20 0.69
▸ TLR4 O00206 2/20 0.69
▸ TLR3 O15455 2/20 0.69

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
SCHEMBL19838445 0.92 TLR7 (0.78) TLR7TLR9TLR8TLR4TLR3
SCHEMBL19839081 0.91 TLR7 (0.79) TLR7TLR9TLR8TLR4TLR3
SCHEMBL19838757 0.89 TLR7 (0.82) TLR7TLR9TLR8TLR4TLR3
SCHEMBL19838754 0.89 TLR7 (0.75) TLR7TLR9TLR8TLR4TLR3
SCHEMBL19838470 0.87 TLR7 (0.81) TLR7TLR9TLR8TLR4TLR3
SCHEMBL19839073 0.87 TLR7 (0.73) TLR7TLR9TLR8TLR4TLR3
SCHEMBL19839296 0.87 TLR7 (0.91) TLR7TLR9TLR8TLR4TLR3
SCHEMBL19839083 0.87 TLR7 (0.78) TLR7TLR9TLR8TLR4TLR3
SCHEMBL19838950 0.86 TLR7 (1.00) TLR7TLR9TLR8TLR4TLR3
SCHEMBL19838697 0.86 TLR7 (1.00) TLR7TLR9TLR8TLR4TLR3

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
CN-109715617-B Dimethoxyphenyl-substituted indole compounds as inhibitors of TLR7, TLR8 or TLR9 百时美施贵宝公司 2022-04-19 — — CN disclosed
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