SCHEMBL19918592

SCHEMBL19918592

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 1/20 0.47
▸ NMT1 P30419 1/20 0.47
▸ SLC15A2 Q16348 1/20 0.47
▸ CPB2 Q96IY4 4/20 0.43
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ ERAP2 Q6P179 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ FURIN P09958 2/20 0.40
▸ PCSK6 P29122 1/20 0.40
▸ OPRK1 P41145 4/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ MMP1 P03956 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
SCHEMBL29565229 0.93 SLC15A2 (0.51) NMT2NMT1SLC15A2CPB2FURIN
SCHEMBL29380200 0.92 SLC15A2 (0.49) NMT2NMT1SLC15A2CPB2FURIN
SCHEMBL29564895 0.91 SLC15A2 (0.49) NMT2NMT1SLC15A2CPB2FURIN
SCHEMBL30394925 0.91 SLC15A2 (0.55) NMT2NMT1SLC15A2CPB2GRIN2D
SCHEMBL29904373 0.91 SLC15A2 (0.55) NMT2NMT1SLC15A2CPB2GRIN2D
SCHEMBL29421960 0.88 ALDH1A1 (0.44) MMP1MMP2MMP3
SCHEMBL29590814 0.87 ERAP2 (0.47) NMT2NMT1CPB2ERAP2ERAP1
SCHEMBL32681781 0.87 NPY4R (0.49) NMT2NMT1CPB2ERAP2ERAP1
SCHEMBL31343441 0.86 NMT2 (0.41) NMT2NMT1CPB2ERAP2ERAP1
SCHEMBL31232419 0.85 NPY4R (0.48) NMT2NMT1CPB2ERAP2ERAP1

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
WO-2018035610-A1 18F LABELED AMINO ACIDS, DERIVATIVES THEREOF AND METHOD OF MAKING SAME SIMON FRASER UNIVERSITY (CA) 2018-03-01 — — WO disclosed
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