SCHEMBL4417216

SCHEMBL4417216

CC(C)CNC1CCC(CS(=O)(=O)c2ccccc2)(N2CC[C@H](NC(=O)c3cc(Br)cc(C(C)(C)C)c3)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.41
KCNH2 Q12809 6/20 0.41
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR5 P51681 4/20 0.33
NPY2R P49146 1/20 0.33

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
SCHEMBL4415142 0.90 CCR2 (0.46) CCR2KCNH2CCR5
SCHEMBL5030885 0.88 CCR2 (0.51) CCR2KCNH2CCR5
SCHEMBL4424621 0.85 CCR2 (0.54) CCR2KCNH2CCR5
SCHEMBL4417209 0.79 CCR2 (0.61) CCR2KCNH2CCR5
SCHEMBL5117650 0.79 CCR2 (0.57) CCR2KCNH2CCR5
SCHEMBL4416873 0.78 DCUN1D1 (0.46) CCR2KCNH2MEN1KMT2A
SCHEMBL4413543 0.77 CCR2 (0.55) CCR2KCNH2CCR5
SCHEMBL4415274 0.76 CCR2 (0.35) CCR2KCNH2
SCHEMBL4416767 0.76 CCR2 (0.53) CCR2KCNH2CCR5
SCHEMBL4419993 0.75

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