Lysine

Lysine

SCHEMBL7801686

CCCC(=O)Nc1ccc(C=O)cc1.NCCCC[C@H](N)C(=O)O.NCCc1ccccc1.O=C(O)Cc1ccc(Br)cc1

nearest known ligand 0.43

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
LTA4H P09960 8/20 0.43
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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 SCHEMBL7801684 1.00 LTA4H (0.43) LTA4HSLC1A3SLC1A2SLC1A1HDAC3
Ornithine Aketoglutarate SCHEMBL7800197 0.98 LTA4H (0.44) LTA4HSLC1A3SLC1A2SLC1A1HDAC3
Ornithine SCHEMBL7800201 0.98 LTA4H (0.44) LTA4HSLC1A3SLC1A2SLC1A1HDAC3
Lysine SCHEMBL7798424 0.95 LTA4H (0.47) LTA4HSLC1A3SLC1A2SLC1A1ALDH1A1
Lysine SCHEMBL7798422 0.95 LTA4H (0.47) LTA4HSLC1A3SLC1A2SLC1A1ALDH1A1
Lysine SCHEMBL7802633 0.94 MEN1 (0.42) LTA4HSLC1A3SLC1A2SLC1A1HDAC3
Phenylacetic Acid SCHEMBL7802505 0.93 LTA4H (0.48) LTA4HSLC1A3SLC1A2SLC1A1ALDH1A1
Phenylacetic Acid SCHEMBL7802503 0.93 LTA4H (0.48) LTA4HSLC1A3SLC1A2SLC1A1ALDH1A1
Lysine SCHEMBL7798546 0.91 LTA4H (0.46) LTA4HSLC1A3SLC1A2SLC1A1ALDH1A1
Lysine SCHEMBL7798544 0.91 LTA4H (0.46) LTA4HSLC1A3SLC1A2SLC1A1ALDH1A1

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