SCHEMBL18772157

SCHEMBL18772157

CCCN(CCC)C(=O)C1=CC2=CC=C(c3ccc(C(=O)OC)cc3)CC2NC(N=NN)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31

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 0.90 DRD3 (0.32) TLR8LMNA
SCHEMBL18771991 0.89 TLR8 (0.33) TLR8
SCHEMBL18772064 0.84 TLR8 (0.32) TLR8
SCHEMBL18772155 0.83 TLR8 (0.34) TLR8
SCHEMBL19416589 0.83 CYP4F2 (0.35) —
SCHEMBL18772202 0.82 — —
SCHEMBL18772043 0.82 TLR8 (0.42) TLR8ALDH1A1
SCHEMBL19416343 0.82 — —
SCHEMBL19416391 0.81 — —
SCHEMBL18771679 0.80 — —

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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