SCHEMBL18772030

SCHEMBL18772030

CCCN(CCCN=O)C(=O)C1=Cc2ccc(-c3ccc(C(=O)OCC)c(F)c3)cc2NC(N=NN)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 18/20 0.35
▸ TLR7 Q9NYK1 3/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.32

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
SCHEMBL18771718 0.90 TLR8 (0.39) TLR8TLR7
SCHEMBL18771811 0.89 TLR8 (0.36) TLR8TLR7
SCHEMBL18771813 0.86 TLR8 (0.34) TLR8TLR7
SCHEMBL19416533 0.86 TLR8 (0.35) TLR8TLR7
SCHEMBL18771992 0.84 TLR8 (0.34) TLR8TLR7
SCHEMBL18772079 0.83 TLR8 (0.41) TLR8TLR7
SCHEMBL18771985 0.83 TLR8 (0.40) TLR8TLR7
SCHEMBL18771945 0.83 TLR8 (0.37) TLR8TLR7NPC1PKM
SCHEMBL18771806 0.83 TLR8 (0.41) TLR8TLR7
SCHEMBL19416322 0.82 TLR8 (0.35) 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
Send feedback