SCHEMBL4416711

SCHEMBL4416711

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.37
CNR2 P34972 2/20 0.37
F10 P00742 7/20 0.35
CCR2 P41597 1/20 0.35
CCR5 P51681 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 4/20 0.33
PDE5A O76074 1/20 0.33
KCNH2 Q12809 2/20 0.32
MCHR1 Q99705 2/20 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
SCHEMBL4413722 0.94 F10 (0.35) CNR1CNR2F10CCR2CCR5
SCHEMBL4421724 0.93 F10 (0.36) CNR1F10CCR2CCR5KMT2A
SCHEMBL4428598 0.93 F10 (0.36) CNR1CNR2F10CCR2CCR5
SCHEMBL4420896 0.92 CCR2 (0.36) CNR1CNR2F10CCR2CCR5
SCHEMBL4417585 0.92 CNR1 (0.40) CNR1CNR2F10CCR2CCR5
SCHEMBL4417993 0.92 NSD2 (0.39) CNR1F10CCR2CCR5KMT2A
SCHEMBL4427802 0.92 F10 (0.34) CNR1CNR2F10CCR2CCR5
SCHEMBL4415059 0.91 CCR2 (0.35) CNR1CNR2F10CCR2CCR5
SCHEMBL5029719 0.88 CCR2 (0.44) CNR1CNR2F10CCR2CCR5
SCHEMBL4426067 0.86 CNR1 (0.40) CNR1CNR2CCR2CCR5

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