SCHEMBL18771987

SCHEMBL18771987

CCCN(CCCO)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2NC(N=NN)C1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 20/20 0.57
▸ TLR7 Q9NYK1 11/20 0.47

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
SCHEMBL18771787 0.96 TLR8 (0.55) TLR8TLR7
SCHEMBL18772018 0.96 TLR8 (0.58) TLR8TLR7
SCHEMBL18771820 0.95 TLR8 (0.57) TLR8TLR7
SCHEMBL18771812 0.94 TLR8 (0.55) TLR8TLR7
SCHEMBL19265473 0.92 TLR8 (0.56) TLR8TLR7
SCHEMBL18771807 0.91 TLR8 (0.53) TLR8TLR7
SCHEMBL18771953 0.90 TLR8 (0.50) TLR8TLR7
SCHEMBL18772069 0.89 TLR8 (0.53) TLR8TLR7
SCHEMBL18772007 0.89 TLR8 (0.53) TLR8TLR7
SCHEMBL18772190 0.89 TLR8 (0.51) 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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