SCHEMBL4413722

SCHEMBL4413722

Cc1nc(N[C@H]2CCN(C3(CS(=O)(=O)c4ccccc4)CCC(NCC(C)C)CC3)C2=O)c2cc(Cl)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.35
CCR2 P41597 1/20 0.35
CCR5 P51681 1/20 0.35
KMT2A Q03164 1/20 0.34
OPRK1 P41145 1/20 0.33
CNR1 P21554 3/20 0.33
ALDH1A1 P00352 2/20 0.32
GABBR2 O75899 2/20 0.32
GABBR1 Q9UBS5 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
KCNH2 Q12809 2/20 0.32
MCHR1 Q99705 2/20 0.32
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 0.94 CNR1 (0.37) F10CCR2CCR5KMT2ACNR1
SCHEMBL4428598 0.92 F10 (0.36) F10CCR2CCR5KMT2ACNR1
SCHEMBL4421724 0.92 F10 (0.36) F10CCR2CCR5KMT2AOPRK1
SCHEMBL4420896 0.92 CCR2 (0.36) F10CCR2CCR5KMT2ACNR1
SCHEMBL4417585 0.92 CNR1 (0.40) F10CCR2CCR5KMT2ACNR1
SCHEMBL4427802 0.91 F10 (0.34) F10CCR2CCR5KMT2ACNR1
SCHEMBL4417993 0.91 NSD2 (0.39) F10CCR2CCR5KMT2ACNR1
SCHEMBL4415059 0.90 CCR2 (0.35) F10CCR2CCR5KMT2ACNR1
SCHEMBL5032071 0.89 CCR2 (0.44) F10CCR2CCR5HRH4KCNH2
SCHEMBL4426067 0.86 CNR1 (0.40) CCR2CCR5CNR1ALDH1A1CNR2

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