Lysine

Lysine

SCHEMBL7802687

CC(=O)Nc1ccc(C=O)cc1.CC(=O)O.N.NCCCC[C@H](N)C(=O)O

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.48
DPP8 Q6V1X1 2/20 0.43
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
LTA4H P09960 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
THRB P10828 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TERT O14746 1/20 0.38
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37

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 SCHEMBL8037446 0.99 GSR (0.49) GSRDPP8DPP4DPP7LTA4H
Lysine SCHEMBL7798445 0.99 GSR (0.49) GSRDPP8DPP4DPP7LTA4H
Lysine SCHEMBL7802708 0.98 GSR (0.48) GSRDPP8DPP4DPP7LTA4H
Lysine SCHEMBL7799062 0.98 GSR (0.50) GSRDPP8DPP4DPP7LTA4H
Ornithine SCHEMBL7800161 0.96 ALDH1A1 (0.43) GSRDPP8DPP4DPP7LTA4H
Lysine SCHEMBL7798301 0.95 GSR (0.46) GSRDPP8DPP4DPP7LTA4H
Lysine SCHEMBL7800870 0.95 GSR (0.48) GSRDPP8DPP4DPP7LTA4H
Ornithine SCHEMBL7800277 0.95 ALDH1A1 (0.43) GSRDPP8DPP4DPP7LTA4H
Ornithine SCHEMBL7801511 0.94 ALDH1A1 (0.43) GSRDPP8DPP4DPP7LTA4H
Ornithine SCHEMBL8035595 0.94 ALDH1A1 (0.44) GSRDPP8DPP4DPP7LTA4H

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
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP disclosed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO disclosed