SCHEMBL4417993

SCHEMBL4417993

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.39
CCR2 P41597 1/20 0.37
CCR5 P51681 1/20 0.37
F10 P00742 8/20 0.35
KMT2A Q03164 1/20 0.33
HRH4 Q9H3N8 3/20 0.33
EHMT2 Q96KQ7 2/20 0.33
EHMT1 Q9H9B1 1/20 0.33
CTNNB1 P35222 2/20 0.32
TCF7L2 Q9NQB0 2/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
SPIN1 Q9Y657 1/20 0.32
CNR1 P21554 1/20 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
SCHEMBL4416711 0.92 CNR1 (0.37) CCR2CCR5F10KMT2AHRH4
SCHEMBL4413722 0.91 F10 (0.35) CCR2CCR5F10KMT2AHRH4
SCHEMBL5033834 0.90 CCR2 (0.43) NSD2CCR2CCR5F10HRH4
SCHEMBL4428598 0.90 F10 (0.36) CCR2CCR5F10KMT2AHRH4
SCHEMBL4421724 0.90 F10 (0.36) CCR2CCR5F10KMT2AHRH4
SCHEMBL4420896 0.90 CCR2 (0.36) NSD2CCR2CCR5F10KMT2A
SCHEMBL4417585 0.90 CNR1 (0.40) NSD2CCR2CCR5F10KMT2A
SCHEMBL4427802 0.89 F10 (0.34) CCR2CCR5F10KMT2AHRH4
SCHEMBL4415059 0.88 CCR2 (0.35) CCR2CCR5F10KMT2ACNR1
SCHEMBL4426067 0.84 CNR1 (0.40) NSD2CCR2CCR5CNR1

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