SCHEMBL18772019

SCHEMBL18772019

CCCN(CCC)C(=O)C1=CC2=CC=C(c3cccc(O)c3)CC2N=C(N=NN)C1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 20/20 0.37
▸ TLR7 Q9NYK1 3/20 0.37

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
SCHEMBL19416478 0.87 TLR8 (0.35) TLR8TLR7
SCHEMBL18772052 0.85 TLR8 (0.34) TLR8TLR7
SCHEMBL18772218 0.83 TLR8 (0.37) TLR8TLR7
SCHEMBL18772135 0.81 TLR8 (0.39) TLR8TLR7
SCHEMBL19416542 0.80 POLB (0.35) TLR8TLR7
SCHEMBL19416390 0.80 TLR8 (0.33) TLR8TLR7
SCHEMBL18771936 0.80 TLR8 (0.34) TLR8TLR7
SCHEMBL18772010 0.80 TLR8 (0.36) TLR8TLR7
SCHEMBL19416492 0.79 TLR8 (0.32) TLR8TLR7
SCHEMBL19416447 0.79 TLR8 (0.32) 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
Send feedback