SCHEMBL12909174

SCHEMBL12909174

C=C(OCOCC)c1ccc(-c2ccc3c(c2)N=C(N)CC(C(=O)N(CCC)CCC)=C3)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 20/20 0.65
▸ TLR7 Q9NYK1 6/20 0.63

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
SCHEMBL1801658 0.91 TLR8 (0.67) TLR8TLR7
SCHEMBL1802559 0.86 TLR8 (0.71) TLR8TLR7
SCHEMBL12909373 0.85 TLR8 (0.73) TLR8TLR7
SCHEMBL12619265 0.83 TLR8 (0.76) TLR8TLR7
SCHEMBL1589321 0.83 TLR8 (0.76) TLR8TLR7
SCHEMBL1802552 0.83 TLR8 (0.72) TLR8TLR7
SCHEMBL1806746 0.82 TLR8 (0.75) TLR8TLR7
SCHEMBL1801423 0.82 TLR8 (0.75) TLR8TLR7
SCHEMBL25687949 0.82 TLR8 (0.79) TLR8TLR7
SCHEMBL1588933 0.82 TLR8 (0.66) TLR8TLR7

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-2011022509-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-02-24 — — WO disclosed
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