SCHEMBL20746219

SCHEMBL20746219

CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@@H]3c4occc4CCC3(C)C)c(=O)c2=O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 20/20 1.00

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
SCHEMBL20721196 1.00 CCR6 (1.00) CCR6
SCHEMBL20721254 0.87 CCR6 (1.00) CCR6
SCHEMBL20721145 0.87 CCR6 (1.00) CCR6
SCHEMBL20721144 0.87 CCR6 (1.00) CCR6
SCHEMBL20760199 0.85 CCR6 (0.72) CCR6
SCHEMBL24755244 0.85 CCR6 (0.73) CCR6
SCHEMBL20721303 0.85 CCR6 (1.00) CCR6
SCHEMBL30168122 0.85 CCR6 (1.00) CCR6
SCHEMBL20721294 0.84 CCR6 (1.00) CCR6
SCHEMBL20746093 0.84 CCR6 (1.00) CCR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668832-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF Allergan, Inc. (US) 2020-06-24 — — EP disclosed
WO-2019036374-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. (US) 2019-02-21 — — WO disclosed
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