Lysine

Lysine

SCHEMBL8561773

C[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CS)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Lysine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.36
GSR P00390 1/20 0.46
SLC7A11 Q9UPY5 1/20 0.36
CPB2 Q96IY4 2/20 0.36
DPP7 Q9UHL4 7/20 0.35
DPP4 P27487 4/20 0.35
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 2/20 0.35
FAP Q12884 1/20 0.33
RNPEP Q9H4A4 1/20 0.33
THRB P10828 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 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
Lysine SCHEMBL20678166 0.95 GSR (0.50) GSRPTGS1SLC7A11CPB2DPP7
Lysine SCHEMBL5575951 0.94 GSR (0.51) GSRDPP7DPP4DPP8DPP9
Lysine SCHEMBL29069496 0.94 GSR (0.51) GSRDPP7DPP4DPP8DPP9
Lysine SCHEMBL1675274 0.94 GSR (0.51) GSRDPP7DPP4DPP8DPP9
Lysine SCHEMBL28352738 0.92 GSR (0.43) GSRPTGS1SLC7A11CPB2DPP7
Lysine SCHEMBL28868906 0.92 GSR (0.43) GSRPTGS1SLC7A11CPB2DPP7
Lysine SCHEMBL18263286 0.91 GSR (0.48) GSRDPP7DPP4DPP8DPP9
Lysine SCHEMBL18259132 0.91 GSR (0.48) GSRDPP7DPP4DPP8DPP9
Lysine SCHEMBL17728306 0.90 GSR (0.47) GSRDPP7DPP4DPP8DPP9
Lysine SCHEMBL23834597 0.89 GSR (0.57) GSRDPP7DPP4DPP8DPP9

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
US-5756066-A Iodine-containing peptides SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-26 US disclosed
EP-0835259-A1 IODINE-CONTAINING PEPTIDES AND THEIR USE AS X-RAY CONTRAST MEDIA SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1996040760-A2 IODINE-CONTAINING PEPTIDES AND THEIR USE AS X-RAY CONTRAST MEDIA SCHERING AKTIENGESELLSCHAFT (DE) 1996-12-19 WO disclosed