SCHEMBL20761114

SCHEMBL20761114

CN(C)Sc1c(Cl)ccc(Nc2c(NC3(c4ccccc4F)CCC3)c(=O)c2=O)c1O

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 20/20 0.71

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
SCHEMBL20761135 0.89 CCR6 (0.70) CCR6
SCHEMBL20760155 0.87 CCR6 (0.69) CCR6
SCHEMBL20761329 0.85 CCR6 (0.69) CCR6
SCHEMBL20761218 0.84 CCR6 (0.69) CCR6
SCHEMBL20761133 0.84 CCR6 (0.72) CCR6
SCHEMBL20721184 0.83 CCR6 (1.00) CCR6
SCHEMBL20760124 0.83 CCR6 (0.68) CCR6
SCHEMBL20760089 0.82 CCR6 (0.69) CCR6
SCHEMBL20760375 0.81 CCR6 (0.66) CCR6
SCHEMBL24755207 0.79 CCR6 (0.93) 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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