SCHEMBL20760090

SCHEMBL20760090

CCC(C)(Nc1c(Nc2ccc(Cl)c(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccc(CN(C)S(=O)(=O)c2c(Cl)ccc(Nc3c(N[C@@H](c4ccccc4)C4CCCCC4)c(=O)c3=O)c2O)c1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 20/20 0.60

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
SCHEMBL20732918 0.86 CCR6 (0.64) CCR6
SCHEMBL24755253 0.83 CCR6 (0.60) CCR6
SCHEMBL24755228 0.80 CCR6 (0.63) CCR6
SCHEMBL20761121 0.80 CCR6 (0.69) CCR6
SCHEMBL20721202 0.76 CCR6 (1.00) CCR6
SCHEMBL20721203 0.76 CCR6 (1.00) CCR6
SCHEMBL20721164 0.76 CCR6 (1.00) CCR6
SCHEMBL20721165 0.76 CCR6 (1.00) CCR6
SCHEMBL20721157 0.75 CCR6 (1.00) CCR6
SCHEMBL20746207 0.75 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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