SCHEMBL4416873

SCHEMBL4416873

CC(C)CNC1CCC(CS(=O)(=O)c2ccccc2)(N2CC[C@H](NC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 12/20 0.46
UBE2M P61081 10/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR2 P41597 3/20 0.44
FPR2 P25090 1/20 0.44
EPHX2 P34913 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL4422880 0.89 CCR2 (0.51) DCUN1D1UBE2MMEN1KMT2ACCR2
SCHEMBL4424621 0.89 CCR2 (0.54) CCR2KCNH2
SCHEMBL4415142 0.82 CCR2 (0.46) CCR2KCNH2
SCHEMBL4413543 0.81 CCR2 (0.55) CCR2KCNH2
SCHEMBL4416767 0.80 CCR2 (0.53) CCR2KCNH2
SCHEMBL4416862 0.79 CCR2 (0.64) CCR2KCNH2
SCHEMBL4423202 0.78 CCR2 (0.66) CCR2KCNH2
SCHEMBL4417518 0.78 CCR2 (0.64) CCR2KCNH2
SCHEMBL4417216 0.78 CCR2 (0.41) MEN1KMT2ACCR2KCNH2
SCHEMBL4418746 0.77 CCR2 (0.49) CCR2KCNH2

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 2 patents. 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
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 EP disclosed