SCHEMBL6248463

SCHEMBL6248463

CCCC(=O)N(C1CCNCC1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OC)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 16/20 0.46
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
BRPF1 P55201 1/20 0.43
MRGPRX1 Q96LB2 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
SCHEMBL6449479 0.94 CCR8 (0.47) CCR8KDM4ENPC1ALDH1A1MAPT
SCHEMBL6411940 0.89 CCR8 (0.59) CCR8
SCHEMBL6415241 0.88 CCR8 (0.55) CCR8KDM4EALDH1A1MAPT
SCHEMBL6203108 0.88 CCR8 (0.47) CCR8ALDH1A1
SCHEMBL6204086 0.86 CCR8 (0.52) CCR8
SCHEMBL6253417 0.83 CCR8 (0.45) CCR8
SCHEMBL6254437 0.82 CCR8 (0.57) CCR8
SCHEMBL6454690 0.82 CCR8 (0.48) CCR8ALDH1A1
SCHEMBL6204820 0.81 CCR8 (0.60) CCR8
SCHEMBL6416674 0.81 CYP1A2 (0.43) CCR8KDM4EMAPTHPGD

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