SCHEMBL18772084

SCHEMBL18772084

CCCN(CCCN=O)C(=O)C1=CC2=CC=C(c3ccccc3C(=O)OCC)CC2NC(N=NN)C1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL18772017 0.87 — —
SCHEMBL18772219 0.81 DRD3 (0.32) —
SCHEMBL18772064 0.80 TLR8 (0.32) —
SCHEMBL18772202 0.80 — —
SCHEMBL18772155 0.80 TLR8 (0.34) TP53HPGD
SCHEMBL18771811 0.79 TLR8 (0.36) —
SCHEMBL19416285 0.79 — —
SCHEMBL19416531 0.79 — —
SCHEMBL19416583 0.78 — —
SCHEMBL18771950 0.75 TLR8 (0.35) —

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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