SCHEMBL18771973

SCHEMBL18771973

CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CC(O)C([N+](=O)[O-])C4)cc3)cc2N=C(N)C1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 20/20 0.71
▸ TLR7 Q9NYK1 16/20 0.62

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
SCHEMBL18771791 0.96 TLR8 (0.74) TLR8TLR7
SCHEMBL1801434 0.91 TLR8 (0.82) TLR8TLR7
SCHEMBL18265928 0.91 TLR8 (0.82) TLR8TLR7
SCHEMBL12619367 0.91 TLR8 (0.82) TLR8TLR7
SCHEMBL1806091 0.91 TLR8 (0.82) TLR8TLR7
SCHEMBL12619376 0.87 TLR8 (0.75) TLR8TLR7
SCHEMBL21912214 0.85 TLR8 (0.72) TLR8TLR7
SCHEMBL12619370 0.85 TLR8 (0.72) TLR8TLR7
SCHEMBL1805273 0.84 TLR8 (0.78) TLR8TLR7
SCHEMBL1803618 0.84 TLR8 (0.78) 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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