Lysine

Lysine

SCHEMBL7798323

NCCCCC(N)C(=O)O.NCCc1ccccc1.O=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

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
MC4R P32245 1/20 0.47
MMP2 P08253 2/20 0.44
MAPT P10636 4/20 0.43
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 1/20 0.43
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
GSR P00390 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GRM8 O00222 3/20 0.41
GRM4 Q14833 3/20 0.41
GRM6 O15303 2/20 0.41
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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 SCHEMBL7798320 1.00 MC4R (0.47) MC4RMMP2MAPTGRIK1GRIK2
D-Ornithine SCHEMBL7802026 0.97 MC4R (0.45) MC4RMMP2MAPTGRIK1GRIK2
Ornithine Aketoglutarate SCHEMBL7802029 0.97 MC4R (0.45) MC4RMMP2MAPTGRIK1GRIK2
Phenylacetic Acid SCHEMBL7800193 0.92 MC4R (0.42) MC4RMMP2MAPTGRIK1GRIK2
Phenylacetic Acid SCHEMBL7800189 0.92 MC4R (0.42) MC4RMMP2MAPTGRIK1GRIK2
Lysine SCHEMBL7792526 0.90 GSR (0.50) MC4RMMP2GRIK1GRIK2GSR
Phenylacetic Acid SCHEMBL7801546 0.86 MC4R (0.44) MC4RMMP2MAPTGRIK1GRIK2
Lysine SCHEMBL7798963 0.85 GSR (0.48) MC4RMMP2GRIK1GRIK2ERAP2
Lysine SCHEMBL7800170 0.85 GSR (0.48) MC4RMMP2GRIK1GRIK2ERAP2
Lysine SCHEMBL7800079 0.85 GSR (0.48) MC4RMMP2GRIK1GRIK2ERAP2

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