SCHEMBL4417824

SCHEMBL4417824

CC(C)CNC1CCC(CS(=O)(=O)c2ccccc2)(N2CC[C@H](Nc3ncnc4ncccc34)C2=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.33
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
XIAP P98170 1/20 0.30
CCR2 P41597 2/20 0.30
CCR5 P51681 1/20 0.30

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
SCHEMBL4424128 0.88 CCR2 (0.35) CCR2CCR5
SCHEMBL5032000 0.88 CCR2 (0.38) CCR2CCR5
SCHEMBL4421314 0.85 CCR2 (0.38) CCR2CCR5
SCHEMBL4424140 0.85 IRAK4 (0.41) CCR2
SCHEMBL4551359 0.85 NSD2 (0.47)
SCHEMBL4417401 0.85 IRAK4 (0.39) CCR2CCR5
SCHEMBL4426067 0.85 CNR1 (0.40) CCR2CCR5
SCHEMBL4422907 0.83 PIK3CD (0.44)
SCHEMBL4418746 0.83 CCR2 (0.49) CCR2CCR5
SCHEMBL4417546 0.81 CCR2 (0.32) CCR2CCR5

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
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 EP claimed