SCHEMBL19416346

SCHEMBL19416346

CCCN(CCCN=O)C(=O)C1=CC2=CC=C(c3ccc(CC(=O)OCC4CC4)cc3)CC2N=C(N=NN)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 4/20 0.31
▸ TLR8 Q9NR97 1/20 0.30

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
SCHEMBL19416594 0.90 TLR8 (0.30) TLR7TLR8
SCHEMBL18772052 0.80 TLR8 (0.34) TLR7TLR8
SCHEMBL18772010 0.80 TLR8 (0.36) TLR7TLR8
SCHEMBL18772218 0.79 TLR8 (0.37) TLR7TLR8
SCHEMBL19416478 0.79 TLR8 (0.35) TLR7TLR8
SCHEMBL19416447 0.79 TLR8 (0.32) TLR7TLR8
SCHEMBL19416492 0.79 TLR8 (0.32) TLR7TLR8
SCHEMBL18772135 0.79 TLR8 (0.39) TLR7TLR8
SCHEMBL19416542 0.77 POLB (0.35) TLR7TLR8
SCHEMBL19416390 0.77 TLR8 (0.33) TLR7TLR8

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-3225623-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-10-04 — — EP disclosed
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