SCHEMBL19416398

SCHEMBL19416398

CCCN(CCC)C(=O)C1=Cc2ccc(OCc3ccccc3)cc2NC(N=NN)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 13/20 0.41
▸ TLR7 Q9NYK1 4/20 0.41
▸ ALOX5 P09917 3/20 0.40
▸ CREBBP Q92793 1/20 0.39
▸ MMP1 P03956 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ APP P05067 1/20 0.35

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
SCHEMBL19416546 0.87 MEN1 (0.41) ALOX5CREBBPMMP1ADAM17
SCHEMBL19416470 0.81 TLR8 (0.41) TLR8TLR7
SCHEMBL18772098 0.80 TLR8 (0.42) TLR8TLR7
SCHEMBL19265455 0.79 TLR8 (0.44) TLR8TLR7ALOX5
SCHEMBL19416269 0.79 TLR8 (0.36) TLR8TLR7
SCHEMBL19416304 0.79 ESR1 (0.38) TLR8TLR7
SCHEMBL19416414 0.79 ENPP2 (0.35) TLR8TLR7
SCHEMBL19416387 0.78 TLR8 (0.38) TLR8TLR7
SCHEMBL19416430 0.78 TLR8 (0.40) TLR8TLR7
SCHEMBL18772082 0.77 TLR8 (0.40) 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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