SCHEMBL4420896

SCHEMBL4420896

CCc1nc(N[C@H]2CCN(C3(CS(=O)(=O)c4ccccc4)CCC(NCC(C)C)CC3)C2=O)c2cc(Cl)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.36
CCR5 P51681 1/20 0.36
F10 P00742 8/20 0.34
KMT2A Q03164 2/20 0.34
CNR1 P21554 3/20 0.32
NSD2 O96028 1/20 0.32
HRH4 Q9H3N8 3/20 0.32
CAMK2D Q13557 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL4416711 0.92 CNR1 (0.37) CCR2CCR5F10KMT2ACNR1
SCHEMBL4413722 0.92 F10 (0.35) CCR2CCR5F10KMT2ACNR1
SCHEMBL4428598 0.91 F10 (0.36) CCR2CCR5F10KMT2ACNR1
SCHEMBL4421724 0.91 F10 (0.36) CCR2CCR5F10KMT2ACNR1
SCHEMBL4417585 0.90 CNR1 (0.40) CCR2CCR5F10KMT2ACNR1
SCHEMBL4417993 0.90 NSD2 (0.39) CCR2CCR5F10KMT2ACNR1
SCHEMBL4427802 0.90 F10 (0.34) CCR2CCR5F10KMT2ACNR1
SCHEMBL4415059 0.89 CCR2 (0.35) CCR2CCR5F10KMT2ACNR1
SCHEMBL5027364 0.89 CCR2 (0.44) CCR2CCR5F10HRH4KCNH2
SCHEMBL4426067 0.84 CNR1 (0.40) CCR2CCR5CNR1NSD2KDM4E

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