SCHEMBL4598805

SCHEMBL4598805

C[C@@H](CCN)CCNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CA1 P00915 8/20 0.40
CA2 P00918 8/20 0.40
CA12 O43570 7/20 0.40
CA9 Q16790 7/20 0.40
EPHX1 P07099 1/20 0.40
CA7 P43166 1/20 0.39
KCNA5 P22460 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL29975263 0.88 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL20075455 0.88 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL7530366 0.88 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL16234280 0.85 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4597906 0.85 TDP1 (0.57) MEN1GAAKMT2ATDP1MAOA
SCHEMBL85954 0.85 MEN1 (0.46) MEN1GAAKMT2ATDP1MAOA
SCHEMBL7439190 0.85 MEN1 (0.46) MEN1GAAKMT2ATDP1MAOA
SCHEMBL10331455 0.83 MEN1 (0.53) MEN1GAAKMT2ATDP1MAOA
SCHEMBL28229416 0.83 MEN1 (0.53) MEN1GAAKMT2ATDP1MAOA
SCHEMBL20001957 0.83 MEN1 (0.56) MEN1GAAKMT2ATDP1MAOA

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed