SCHEMBL18772197

SCHEMBL18772197

CCCN(CCCO)C(=O)C1=Cc2ccc(-c3ccc(/C=C/C(=O)OCC)cc3)cc2N=C(N=NN)C1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 20/20 0.48
▸ TLR7 Q9NYK1 3/20 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
SCHEMBL12619573 0.89 TLR8 (0.59) TLR8TLR7
SCHEMBL18772047 0.83 TLR8 (0.48) TLR8TLR7
SCHEMBL18772025 0.80 TLR8 (0.51) TLR8TLR7
SCHEMBL19416581 0.80 TLR8 (0.46) TLR8TLR7
SCHEMBL19416572 0.80 TLR8 (0.46) TLR8TLR7
SCHEMBL1801871 0.80 TLR8 (0.63) TLR8TLR7
SCHEMBL1804021 0.80 TLR8 (0.63) TLR8TLR7
SCHEMBL12619299 0.80 TLR8 (0.63) TLR8TLR7
SCHEMBL18771830 0.79 TLR8 (0.57) TLR8TLR7
SCHEMBL18772104 0.78 TLR8 (0.57) 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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