SCHEMBL19416581

SCHEMBL19416581

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

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 20/20 0.46
▸ TLR7 Q9NYK1 4/20 0.46

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
SCHEMBL19416433 0.93 TLR8 (0.45) TLR8TLR7
SCHEMBL1588850 0.90 TLR8 (0.58) TLR8TLR7
SCHEMBL19416572 0.83 TLR8 (0.46) TLR8TLR7
SCHEMBL1588744 0.83 TLR8 (0.59) TLR8TLR7
SCHEMBL18772197 0.80 TLR8 (0.48) TLR8TLR7
SCHEMBL19416410 0.79 TLR8 (0.46) TLR8TLR7
SCHEMBL18772047 0.79 TLR8 (0.48) TLR8TLR7
SCHEMBL19416376 0.78 TLR8 (0.37) TLR8TLR7
SCHEMBL18771830 0.78 TLR8 (0.57) TLR8TLR7
SCHEMBL19416575 0.78 TLR8 (0.60) 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
Send feedback