SCHEMBL19416433

SCHEMBL19416433

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

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 20/20 0.45
▸ TLR7 Q9NYK1 4/20 0.45

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
SCHEMBL19416581 0.93 TLR8 (0.46) TLR8TLR7
SCHEMBL19416410 0.86 TLR8 (0.46) TLR8TLR7
SCHEMBL18772025 0.83 TLR8 (0.51) TLR8TLR7
SCHEMBL1588850 0.82 TLR8 (0.58) TLR8TLR7
SCHEMBL19416431 0.80 TLR8 (0.34) TLR8TLR7
SCHEMBL19416313 0.80 TLR8 (0.36) TLR8TLR7
SCHEMBL18772092 0.79 TLR8 (0.70) TLR8TLR7
SCHEMBL19416345 0.77 TLR8 (0.47) TLR8TLR7
SCHEMBL18771830 0.77 TLR8 (0.57) TLR8TLR7
SCHEMBL18772104 0.77 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-3225623-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-10-04 — — EP disclosed
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