Lysine

Lysine

SCHEMBL7800522

NCCCC[C@H](N)C(=O)O.NCCc1ccccc1.O=C(O)Cc1ccccc1.O=Cc1ccc(-c2ccccc2)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
PTGS1 known ✓ P23219 1/20 0.42
GSR P00390 1/20 0.43
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MMP2 P08253 2/20 0.40
MMP9 P14780 1/20 0.40
GRIK1 P39086 2/20 0.39
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
CPB2 Q96IY4 2/20 0.39
GRIK2 Q13002 1/20 0.38
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
LTA4H P09960 1/20 0.37
DRD2 P14416 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 SCHEMBL7800524 1.00 GSR (0.43) GSRABCC4LMNAGAATSHR
Phenylacetic Acid SCHEMBL7797965 0.97 ABCC4 (0.43) GSRABCC4LMNAGAATSHR
Phenylacetic Acid SCHEMBL7797963 0.97 ABCC4 (0.43) GSRABCC4LMNAGAATSHR
Lysine SCHEMBL7800208 0.95 GSR (0.46) GSRABCC4LMNAGAATSHR
Lysine SCHEMBL7800170 0.94 GSR (0.48) GSRMMP2MMP9GRIK1MC4R
Lysine SCHEMBL7798963 0.94 GSR (0.48) GSRMMP2MMP9GRIK1MC4R
Lysine SCHEMBL7800079 0.94 GSR (0.48) GSRMMP2MMP9GRIK1MC4R
Lysine SCHEMBL7800249 0.94 GSR (0.44) GSRMMP2MMP9GRIK1MC4R
Lysine SCHEMBL7801506 0.93 GSR (0.47) GSRMMP2MMP9GRIK1MC4R
Lysine SCHEMBL7792521 0.93 GSR (0.43) GSRMMP2MMP9GRIK1MC4R

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