SCHEMBL18771995

SCHEMBL18771995

CCCN(CCC)C(=O)C1=Cc2ccc(C3=CC(C(=O)OCC)=CCC3)cc2NC(N=NN)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 20/20 0.33
▸ TLR7 Q9NYK1 3/20 0.33

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
SCHEMBL18772012 0.91 TLR8 (0.36) TLR8TLR7
SCHEMBL18771958 0.90 TLR8 (0.34) TLR8TLR7
SCHEMBL18772079 0.85 TLR8 (0.41) TLR8TLR7
SCHEMBL18772054 0.85 TLR8 (0.34) TLR8TLR7
SCHEMBL18771979 0.83 TLR8 (0.44) TLR8TLR7
SCHEMBL18771964 0.82 TLR8 (0.38) TLR8TLR7
SCHEMBL18771813 0.82 TLR8 (0.34) TLR8TLR7
SCHEMBL19416451 0.81 TLR8 (0.33) TLR8TLR7
SCHEMBL19416294 0.80 TLR8 (0.37) TLR8TLR7
SCHEMBL18771985 0.80 TLR8 (0.40) 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
EP-3159337-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-04-26 — — EP disclosed
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