Lysine

Lysine

SCHEMBL7798546

CCCCC(=O)Nc1ccc(C=O)cc1.NCCCC[C@H](N)C(=O)O.NCCc1ccccc1.O=C(O)Cc1ccccc1

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 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
KDM1A O60341 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 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
Lysine SCHEMBL7798544 1.00 LTA4H (0.46) LTA4HPOLBTDP1ALDH1A1SLC1A3
Phenylacetic Acid SCHEMBL7800120 0.97 LTA4H (0.47) LTA4HPOLBTDP1ALDH1A1SLC1A3
Phenylacetic Acid SCHEMBL7800123 0.97 LTA4H (0.47) LTA4HPOLBTDP1ALDH1A1SLC1A3
Lysine SCHEMBL7798424 0.96 LTA4H (0.47) LTA4HPOLBTDP1ALDH1A1SLC1A3
Lysine SCHEMBL7798422 0.96 LTA4H (0.47) LTA4HPOLBTDP1ALDH1A1SLC1A3
Lysine SCHEMBL7800220 0.96 LTA4H (0.50) LTA4HPOLBTDP1ALDH1A1SLC1A3
Lysine SCHEMBL7800215 0.96 LTA4H (0.50) LTA4HPOLBTDP1ALDH1A1SLC1A3
Phenylacetic Acid SCHEMBL7802505 0.93 LTA4H (0.48) LTA4HPOLBTDP1ALDH1A1SLC1A3
Phenylacetic Acid SCHEMBL7802503 0.93 LTA4H (0.48) LTA4HPOLBTDP1ALDH1A1SLC1A3
Ornithine SCHEMBL7798491 0.93 LTA4H (0.51) LTA4HPOLBTDP1ALDH1A1SLC1A3

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