SCHEMBL18772042

SCHEMBL18772042

CCOC(=O)C1=Cc2ccc(-c3ccc(C(=O)N(CC)CC)cc3)cc2N=C(N=NN)C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 18/20 0.49
▸ TLR7 Q9NYK1 5/20 0.49
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL18772107 0.92 TLR8 (0.50) TLR8TLR7
SCHEMBL18771796 0.87 TLR8 (0.58) TLR8TLR7
SCHEMBL18772121 0.87 TLR8 (0.52) TLR8TLR7ALDH1A1HPGD
SCHEMBL12619300 0.87 TLR8 (0.64) TLR8TLR7
SCHEMBL18771832 0.84 TLR8 (0.54) TLR8TLR7
SCHEMBL18772025 0.82 TLR8 (0.51) TLR8TLR7
SCHEMBL18771830 0.81 TLR8 (0.57) TLR8TLR7
SCHEMBL18772200 0.81 TLR8 (0.50) TLR8TLR7ALDH1A1
SCHEMBL18772071 0.81 TLR8 (0.46) TLR8TLR7ALDH1A1MAPT
SCHEMBL18771925 0.80 TLR8 (0.45) 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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