SCHEMBL5548795

SCHEMBL5548795

CC(C)(C)OC(=O)NC(=O)C[C@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIK1 P39086 6/20 0.41
SLC7A5 Q01650 2/20 0.38
APLNR P35414 1/20 0.38
GRIK2 Q13002 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
SLC1A1 P43005 4/20 0.36
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
CYP2D6 P10635 1/20 0.36
GRM1 Q13255 1/20 0.36
GRM2 Q14416 1/20 0.36
GRIA4 P48058 2/20 0.36
GRIK3 Q13003 2/20 0.36
GRIK5 Q16478 2/20 0.36
GRIA2 P42262 1/20 0.35

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
SCHEMBL4533199 1.00 MEN1 (0.42) MEN1GAAKMT2AGRIK1SLC7A5
SCHEMBL11016322 0.83 SLC1A1 (0.44) MEN1GAAKMT2AGRIK1APLNR
SCHEMBL2580333 0.83 SLC1A1 (0.44) MEN1GAAKMT2AGRIK1APLNR
SCHEMBL4954829 0.83 SLC1A1 (0.44) MEN1GAAKMT2AGRIK1APLNR
SCHEMBL21689957 0.78 GRIK1 (0.40) MEN1GAAKMT2AGRIK1SLC7A5
SCHEMBL9845867 0.77 MEN1 (0.47) MEN1GAAKMT2AGRIK1SLC7A5
SCHEMBL14904434 0.77 CYP2D6 (0.46) MEN1GAAKMT2AAPLNRCA1
SCHEMBL38112 0.76 GRIK1 (0.47) GRIK1SLC7A5GRIK2SLC1A1SLC1A3
SCHEMBL2024581 0.76 GRIK1 (0.47) GRIK1SLC7A5GRIK2SLC1A1SLC1A3
SCHEMBL38111 0.76 GRIK1 (0.47) GRIK1SLC7A5GRIK2SLC1A1SLC1A3

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-1556358-B1 ENANTIOSELECTIVE ALKYLATION OF TRICYCLIC COMPOUNDS SCHERING CORP (US) 2007-06-20 EP claimed