SCHEMBL4415059

SCHEMBL4415059

CC(C)CNC1CCC(CS(=O)(=O)c2ccccc2)(N2CC[C@H](Nc3nc(C(F)(F)F)nc4ccc(Cl)cc34)C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.35
CCR5 P51681 3/20 0.35
TLR7 Q9NYK1 5/20 0.35
CNR1 P21554 7/20 0.34
F10 P00742 1/20 0.34
CNR2 P34972 2/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
GPR6 P46095 1/20 0.32

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
SCHEMBL4427802 0.94 F10 (0.34) CCR2CCR5CNR1F10CNR2
SCHEMBL4416711 0.91 CNR1 (0.37) CCR2CCR5CNR1F10CNR2
SCHEMBL4417585 0.90 CNR1 (0.40) CCR2CCR5CNR1F10CNR2
SCHEMBL4413722 0.90 F10 (0.35) CCR2CCR5CNR1F10CNR2
SCHEMBL4416754 0.90 KMT2A (0.31) TLR7F10KMT2AKCNH2MCHR1
SCHEMBL5634292 0.90 CCR2 (0.42) CCR2CCR5CNR1F10KCNH2
SCHEMBL4428598 0.90 F10 (0.36) CCR2CCR5CNR1F10CNR2
SCHEMBL4421724 0.90 F10 (0.36) CCR2CCR5CNR1F10KMT2A
SCHEMBL4420896 0.89 CCR2 (0.36) CCR2CCR5CNR1F10CNR2
SCHEMBL4417993 0.88 NSD2 (0.39) CCR2CCR5CNR1F10KMT2A

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