SCHEMBL18772155

SCHEMBL18772155

CCCN(CCC)C(=O)C1=CC2=CC=C(c3cccc(C(=O)OCC)c3)CC2NC(N=NN)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ GALR1 P47211 1/20 0.34
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 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
SCHEMBL18772219 0.88 DRD3 (0.32) TLR8
SCHEMBL18772157 0.83 TLR8 (0.32) TLR8
SCHEMBL19416589 0.81 CYP4F2 (0.35) CYP4F2CYP4A11
SCHEMBL18772192 0.81 TLR8 (0.31) TLR8TP53
SCHEMBL18771991 0.81 TLR8 (0.33) TLR8
SCHEMBL18772084 0.80 HCRTR1 (0.30) TP53HPGD
SCHEMBL18772017 0.79 — —
SCHEMBL18771979 0.79 TLR8 (0.44) TLR8TLR7GALR1
SCHEMBL19416314 0.78 — —
SCHEMBL19415988 0.77 — —

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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