SCHEMBL20761121

SCHEMBL20761121

CCC(C)(Nc1c(Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2O)c(=O)c1=O)c1cccc(CN(C)S(=O)(=O)c2c(Cl)ccc(Nc3c(NC(C)(C)C4CCCC4)c(=O)c3=O)c2O)c1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 20/20 0.69

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
SCHEMBL20761244 0.93 CCR6 (0.61) CCR6
SCHEMBL24756687 0.83 CCR6 (0.69) CCR6
SCHEMBL20721280 0.83 CCR6 (1.00) CCR6
SCHEMBL20721215 0.80 CCR6 (1.00) CCR6
SCHEMBL20746049 0.80 CCR6 (1.00) CCR6
SCHEMBL20721162 0.80 CCR6 (1.00) CCR6
SCHEMBL20760090 0.80 CCR6 (0.60) CCR6
SCHEMBL20760377 0.78 CCR6 (0.71) CCR6
SCHEMBL20721246 0.73 CCR6 (1.00) CCR6
SCHEMBL20721308 0.72 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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