SCHEMBL20760264

SCHEMBL20760264

CN(C)Sc1c(Cl)ccc(Nc2c(NC3CCCc4occc43)c(=O)c2=O)c1O

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 19/20 0.71
▸ CXCR2 P25025 1/20 0.44

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
SCHEMBL20761612 0.84 CCR6 (0.71) CCR6CXCR2
SCHEMBL20721171 0.83 CCR6 (1.00) CCR6
SCHEMBL20760382 0.82 CCR6 (0.72) CCR6
SCHEMBL20761373 0.82 CCR6 (0.71) CCR6CXCR2
SCHEMBL20760119 0.80 CCR6 (0.66) CCR6CXCR2
SCHEMBL20760276 0.79 CCR6 (0.66) CCR6CXCR2
SCHEMBL20761136 0.76 CCR6 (0.72) CCR6CXCR2
SCHEMBL20761321 0.75 CCR6 (0.69) CCR6
SCHEMBL20761213 0.75 CCR6 (0.72) CCR6
SCHEMBL20760528 0.74 CCR6 (0.69) 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
Send feedback