SCHEMBL19416430

SCHEMBL19416430

CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)NCCCC(=O)OCc4ccccc4)cc3)cc2NC(N=NN)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 16/20 0.40
▸ TLR7 Q9NYK1 3/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ DRD2 P14416 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ DRD3 P35462 2/20 0.36

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
SCHEMBL19416414 0.83 ENPP2 (0.35) TLR8TLR7
SCHEMBL18772013 0.81 TLR8 (0.42) TLR8TLR7
SCHEMBL1590055 0.81 TLR8 (0.60) TLR8TLR7
SCHEMBL19416290 0.80 TLR8 (0.38) TLR8TLR7
SCHEMBL18772079 0.79 TLR8 (0.41) TLR8TLR7
SCHEMBL18771975 0.79 TLR8 (0.45) TLR8TLR7
SCHEMBL19416470 0.79 TLR8 (0.41) TLR8TLR7
SCHEMBL18771743 0.78 TLR8 (0.43) TLR8TLR7
SCHEMBL19416294 0.78 TLR8 (0.37) TLR8TLR7
SCHEMBL19416398 0.78 TLR8 (0.41) 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-3225623-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-10-04 — — EP disclosed
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