SCHEMBL18772078

SCHEMBL18772078

CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CC[C@@H](O)C4)cc3)cc2N=C(N=NN)C1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 20/20 0.62
▸ TLR7 Q9NYK1 7/20 0.56

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
SCHEMBL1805273 0.89 TLR8 (0.78) TLR8TLR7
SCHEMBL18772009 0.89 TLR8 (0.78) TLR8TLR7
SCHEMBL1803618 0.89 TLR8 (0.78) TLR8TLR7
SCHEMBL1803616 0.89 TLR8 (0.78) TLR8TLR7
SCHEMBL18772027 0.88 TLR8 (0.77) TLR8TLR7
SCHEMBL12619344 0.85 TLR8 (0.72) TLR8TLR7
SCHEMBL15224258 0.85 TLR8 (0.61) TLR8TLR7
SCHEMBL1805284 0.85 TLR8 (0.72) TLR8TLR7
SCHEMBL15224259 0.85 TLR8 (0.61) TLR8TLR7
SCHEMBL1237705 0.85 TLR8 (0.72) 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
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