SCHEMBL6415241

SCHEMBL6415241

CCCC(=O)N(C1CCNCC1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 19/20 0.55
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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 0.91 CCR8 (0.45) CCR8
SCHEMBL6411940 0.90 CCR8 (0.59) CCR8
SCHEMBL6203108 0.90 CCR8 (0.47) CCR8ALDH1A1
SCHEMBL6248463 0.88 CCR8 (0.46) CCR8KDM4EALDH1A1MAPT
SCHEMBL6204086 0.88 CCR8 (0.52) CCR8
SCHEMBL6415098 0.87 CCR8 (0.42) CCR8
SCHEMBL6454690 0.83 CCR8 (0.48) CCR8ALDH1A1
SCHEMBL6204820 0.82 CCR8 (0.60) CCR8
SCHEMBL6416674 0.82 CYP1A2 (0.43) CCR8KDM4EMAPT
SCHEMBL6449479 0.82 CCR8 (0.47) CCR8KDM4EALDH1A1MAPT

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