SCHEMBL10056006

SCHEMBL10056006

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.50
SLC1A2 P43004 3/20 0.38
SLC1A3 P43003 3/20 0.38
SLC1A1 P43005 2/20 0.38
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DPP4 P27487 2/20 0.33
TP53 P04637 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
LMNA P02545 1/20 0.32
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
LAP3 P28838 1/20 0.31

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
SCHEMBL5287035 0.82 SLC7A5 (0.46) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
SCHEMBL17234225 0.82 SLC7A5 (0.46) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
SCHEMBL17234221 0.82 SLC7A5 (0.46) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
SCHEMBL17234149 0.82 SLC7A5 (0.46) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
SCHEMBL17234150 0.82 SLC7A5 (0.46) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
SCHEMBL23586947 0.82 SLC7A5 (0.46) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
SCHEMBL8823414 0.81 SLC7A5 (0.50) SLC7A5SLC1A2SLC1A3SLC1A1ALDH1A1
SCHEMBL31370390 0.81 SLC7A5 (0.50) SLC7A5SLC1A2SLC1A3SLC1A1ALDH1A1
SCHEMBL31370395 0.81 SLC7A5 (0.50) SLC7A5SLC1A2SLC1A3SLC1A1ALDH1A1
SCHEMBL28254962 0.79 SLC7A5 (0.48) SLC7A5SLC1A2SLC1A3SLC1A1DPP4

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
WO-2013089212-A1 SUBSTITUTED TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 (JP) 2013-06-20 WO disclosed
WO-2012020749-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY 塩野義製薬株式会社 (JP) 2012-02-16 WO disclosed