SCHEMBL27701546

SCHEMBL27701546

C[C@H](CN)CCC(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
APLNR P35414 1/20 0.36
CTSK P43235 9/20 0.35
CYP2D6 P10635 1/20 0.35
CTSS P25774 3/20 0.33
CAPN1 P07384 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 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
SCHEMBL17338702 0.79 APLNR (0.39) CA1CA2CA7MEN1GAA
SCHEMBL6183615 0.78 CYP2D6 (0.36) CA1CA2CA7MEN1GAA
SCHEMBL2580333 0.77 SLC1A1 (0.44) MEN1GAAKMT2AAPLNR
SCHEMBL4954829 0.77 SLC1A1 (0.44) MEN1GAAKMT2AAPLNR
SCHEMBL11016322 0.77 SLC1A1 (0.44) MEN1GAAKMT2AAPLNR
SCHEMBL29975263 0.77 MEN1 (0.54) CA1CA2CA7MEN1GAA
SCHEMBL20075455 0.77 MEN1 (0.54) CA1CA2CA7MEN1GAA
SCHEMBL7530366 0.77 MEN1 (0.54) CA1CA2CA7MEN1GAA
SCHEMBL19974086 0.76 MEN1 (0.36) CA1CA2CA7MEN1GAA
SCHEMBL5672978 0.76 TDP1 (0.40) CA1CA2CA7MEN1GAA

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-100482680-C excitatory amino acid prodrugs LILLY CO ELI (US) 2009-04-29 CN disclosed
CN-101084236-A excitatory amino acid prodrugs LILLY CO ELI (US) 2007-12-05 CN disclosed