SCHEMBL27647296

SCHEMBL27647296

CCOC(=O)C1CC(N)CCC1N1CCC(NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.46
PREP P48147 2/20 0.44
CTSK P43235 2/20 0.43
F2 P00734 2/20 0.41
CASP3 P42574 1/20 0.40
TSHR P16473 1/20 0.40
NAAA Q02083 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL27647294 1.00 CPB1 (0.46) CPB1PREPCTSKF2CASP3
SCHEMBL3746843 0.93 CPB1 (0.54) CPB1PREPCTSKCASP3TSHR
SCHEMBL3738296 0.93 CPB1 (0.54) CPB1PREPCTSKCASP3TSHR
SCHEMBL3738299 0.93 CPB1 (0.54) CPB1PREPCTSKCASP3TSHR
SCHEMBL3738297 0.93 CPB1 (0.54) CPB1PREPCTSKCASP3TSHR
SCHEMBL3746840 0.93 CPB1 (0.54) CPB1PREPCTSKCASP3TSHR
SCHEMBL3252082 0.90 PREP (0.48) CPB1PREPCTSKCASP3TSHR
SCHEMBL3751193 0.90 PREP (0.48) CPB1PREPCTSKCASP3TSHR
SCHEMBL3252081 0.90 PREP (0.48) CPB1PREPCTSKCASP3TSHR
SCHEMBL3751199 0.90 PREP (0.48) CPB1PREPCTSKCASP3TSHR

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
CN-1871215-B Cyclic derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO 2011-06-08 CN disclosed
CN-1871215-A Cyclic derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2006-11-29 CN disclosed