Sugi Predict

Sugi Predict / Compounds / SCHEMBL6204527

SCHEMBL6204527

SCHEMBL6204527

COCC(=O)N(C1CCNCC1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR8 P51685 18/20 0.46
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6251156 0.89 CCR8 (0.48) CCR8SLC6A2SLC6A4SLC6A3
SCHEMBL6446918 0.89 CCR8 (0.46) CCR8SLC6A2SLC6A4SLC6A3
SCHEMBL6254437 0.88 CCR8 (0.57) CCR8
SCHEMBL6204708 0.87 CCR8 (0.48) CCR8SLC6A2SLC6A4SLC6A3
SCHEMBL6366037 0.85 CCR8 (0.51) CCR8SLC6A2SLC6A4SLC6A3
SCHEMBL6248357 0.84 CCR8 (0.48) CCR8
SCHEMBL6249952 0.83 CCR8 (0.48) CCR8SLC6A2SLC6A4SLC6A3
SCHEMBL6204820 0.78 CCR8 (0.60) CCR8
SCHEMBL6411940 0.78 CCR8 (0.59) CCR8
SCHEMBL6248229 0.77 CCR8 (0.56) CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590327-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-02 — — EP disclosed
EP-1581511-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 — — EP disclosed
WO-2004058709-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 — — WO disclosed
WO-2004058736-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 — — WO disclosed