SCHEMBL6415098

SCHEMBL6415098

CCCC(=O)N(C1CCNCC1)S(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2C(F)(F)F)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 16/20 0.42
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL6253417 0.94 CCR8 (0.45) CCR8
SCHEMBL6415241 0.87 CCR8 (0.55) CCR8
SCHEMBL6411940 0.81 CCR8 (0.59) CCR8
SCHEMBL6204086 0.80 CCR8 (0.52) CCR8
SCHEMBL6203108 0.80 CCR8 (0.47) CCR8
SCHEMBL1339592 0.80 CCR8 (0.65) CCR8
SCHEMBL6248463 0.79 CCR8 (0.46) CCR8
SCHEMBL1339758 0.75 CCR8 (0.75) CCR8
SCHEMBL6416674 0.74 CYP1A2 (0.43) CCR8SLC6A2SLC6A4SLC6A3
SCHEMBL6454690 0.74 CCR8 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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