SCHEMBL18772079

SCHEMBL18772079

CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)OCC)cc3)cc2NC(N=NN)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 19/20 0.41
▸ TLR7 Q9NYK1 5/20 0.37
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 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
SCHEMBL18771985 0.94 TLR8 (0.40) TLR8TLR7
SCHEMBL18771718 0.94 TLR8 (0.39) TLR8TLR7
SCHEMBL18771649 0.94 TLR8 (0.39) TLR8TLR7GABRA1GABRB2
SCHEMBL18771979 0.93 TLR8 (0.44) TLR8TLR7
SCHEMBL18771975 0.90 TLR8 (0.45) TLR8TLR7GABRA1GABRB2
SCHEMBL18771743 0.89 TLR8 (0.43) TLR8TLR7GABRA1GABRB2
SCHEMBL19416294 0.88 TLR8 (0.37) TLR8TLR7
SCHEMBL18771825 0.88 TLR8 (0.42) TLR8TLR7GABRA1GABRB2
SCHEMBL19416470 0.88 TLR8 (0.41) TLR8TLR7
SCHEMBL18772013 0.87 TLR8 (0.42) 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