SCHEMBL19416498

SCHEMBL19416498

CCCN(CCCN=O)C(=O)C1=Cc2ccc(-c3ccc(CC(=O)OCc4ccccc4)cc3)cc2NC(N)C1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.37
▸ TLR8 Q9NR97 19/20 0.36
▸ TLR7 Q9NYK1 5/20 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
SCHEMBL19416335 0.92 ENPP2 (0.39) ENPP2TLR8TLR7
SCHEMBL19416414 0.90 ENPP2 (0.35) ENPP2TLR8TLR7
SCHEMBL19416557 0.89 TLR8 (0.35) TLR8TLR7
SCHEMBL19416321 0.89 TLR8 (0.35) TLR8TLR7
SCHEMBL19416403 0.83 TLR8 (0.38) TLR8TLR7
SCHEMBL19416313 0.82 TLR8 (0.36) TLR8TLR7
SCHEMBL19416533 0.82 TLR8 (0.35) TLR8TLR7
SCHEMBL19416322 0.81 TLR8 (0.35) TLR8TLR7
SCHEMBL12906828 0.80 TSHR (0.38) TLR8TLR7
SCHEMBL19416458 0.80 TLR8 (0.34) 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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