SCHEMBL11459948

SCHEMBL11459948

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.52
▸ SLC1A3 P43003 3/20 0.41
▸ SLC1A2 P43004 3/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ CACNA2D1 P54289 2/20 0.37
▸ CACNB3 P54284 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ CACNA2D2 Q9NY47 1/20 0.37
▸ RNPEP Q9H4A4 4/20 0.36
▸ ANPEP P15144 3/20 0.36
▸ DNPEP Q9ULA0 2/20 0.36
▸ BHMT Q93088 1/20 0.36
▸ SLC1A1 P43005 2/20 0.35
▸ LARS1 Q9P2J5 1/20 0.34
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33

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
SCHEMBL11459947 1.00 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2DPP4DPP9
SCHEMBL15840409 0.85 SLC7A5 (0.47) SLC7A5SLC1A3SLC1A2DPP4DPP9
SCHEMBL30534361 0.84 SLC7A5 (0.38) SLC7A5SLC1A3SLC1A2DPP4DPP9
SCHEMBL30063665 0.80 DPP4 (0.43) SLC7A5SLC1A3SLC1A2DPP4DPP9
SCHEMBL18774975 0.80 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2DPP4DPP9
SCHEMBL10908256 0.79 GABRP (0.38) SLC7A5DPP4DPP9BHMTGABRP
SCHEMBL29540065 0.78 PTGS1 (0.46) DPP4DPP9ANPEPBHMT
SCHEMBL29540216 0.78 PTGS1 (0.46) DPP4DPP9ANPEPBHMT
Hydrochloric Acid SCHEMBL11341606 0.78 DPP4 (0.37) SLC7A5DPP4DPP9BHMTGABRP
SCHEMBL4595827 0.77 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2DPP4DPP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55082186-A — — None — — JP disclosed
CN-116615411-A Process for producing peptide compound containing N-substituted amino acid residue 中外制药株式会社 2023-08-18 — — CN disclosed
JP-S5582186-A ANTIOXIDANT TANABE SEIYAKU CO LTD 1980-06-20 — — JP disclosed
Send feedback