SCHEMBL18771950

SCHEMBL18771950

CCCN(CCCN=O)C(=O)C1=CC2=CC=C(c3ccc(C(=O)N4CC[C@@H](N=O)C4)cc3)CC2NC(N=NN)C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 12/20 0.35
▸ TLR7 Q9NYK1 9/20 0.33

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
SCHEMBL18771769 0.91 — —
SCHEMBL18772064 0.87 TLR8 (0.32) TLR8
SCHEMBL18771991 0.81 TLR8 (0.33) TLR8
SCHEMBL18772126 0.81 TLR8 (0.44) TLR8TLR7
SCHEMBL18771969 0.81 TLR8 (0.44) TLR8TLR7
SCHEMBL18772043 0.80 TLR8 (0.42) TLR8TLR7
SCHEMBL19416583 0.80 — —
SCHEMBL19416340 0.80 — —
SCHEMBL18772157 0.79 TLR8 (0.32) TLR8
SCHEMBL18772219 0.79 DRD3 (0.32) TLR8

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