SCHEMBL18771979

SCHEMBL18771979

CCCN(CCC)C(=O)C1=Cc2ccc(-c3cccc(C(=O)OCC)c3)cc2NC(N=NN)C1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 12/20 0.44
▸ TLR7 Q9NYK1 2/20 0.44
▸ GALR1 P47211 1/20 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
SCHEMBL18772079 0.93 TLR8 (0.41) TLR8TLR7
SCHEMBL18771833 0.90 TLR8 (0.49) TLR8TLR7
SCHEMBL18772186 0.88 TLR8 (0.45) TLR8TLR7
SCHEMBL18771985 0.88 TLR8 (0.40) TLR8TLR7
SCHEMBL19416387 0.87 TLR8 (0.38) TLR8TLR7
SCHEMBL18771718 0.87 TLR8 (0.39) TLR8TLR7
SCHEMBL18772124 0.87 TLR8 (0.38) TLR8TLR7GALR1
SCHEMBL18771649 0.86 TLR8 (0.39) TLR8TLR7
SCHEMBL18771964 0.86 TLR8 (0.38) TLR8TLR7
SCHEMBL18772127 0.85 TLR8 (0.42) 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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