Lysine

Lysine

SCHEMBL7800181

CC(=O)Nc1ccc(C=O)cc1.N.NCCCC[C@H](N)C(=O)O.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 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.46
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
MMP2 P08253 1/20 0.40
GSR P00390 1/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
PTPN1 P18031 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
BACE1 P56817 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 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
Phenylacetic Acid SCHEMBL7798038 0.97 LTA4H (0.42) LTA4HSLC1A3SLC1A2SLC1A1PTPN1
Phenylacetic Acid SCHEMBL7792817 0.97 LTA4H (0.42) LTA4HSLC1A3SLC1A2SLC1A1PTPN1
Lysine SCHEMBL7798098 0.95 LTA4H (0.44) LTA4HSLC1A3SLC1A2SLC1A1MMP2
Lysine SCHEMBL7798100 0.95 LTA4H (0.44) LTA4HSLC1A3SLC1A2SLC1A1MMP2
Phenylacetic Acid SCHEMBL7798281 0.92 LTA4H (0.42) LTA4HSLC1A3SLC1A2SLC1A1PTPN1
Phenylacetic Acid SCHEMBL7798109 0.92 LTA4H (0.42) LTA4HSLC1A3SLC1A2SLC1A1PTPN1
Phenylacetic Acid SCHEMBL7798111 0.92 LTA4H (0.42) LTA4HSLC1A3SLC1A2SLC1A1PTPN1
Lysine SCHEMBL7800517 0.91 MEN1 (0.45) LTA4HSLC1A3SLC1A2SLC1A1GSR
Lysine SCHEMBL7798445 0.91 GSR (0.49) LTA4HGSRDPP8DPP4DPP7
Lysine SCHEMBL8037446 0.91 GSR (0.49) LTA4HGSRDPP8DPP4DPP7

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