Lysine

Lysine

SCHEMBL7802985

NC1CCCCC1.NCCCC[C@H](N)C(=O)O.O=C(O)Cc1ccccc1.O=Cc1ccc(Cl)cc1Cl

nearest known ligand 0.37

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
LMNA P02545 1/20 0.37
ACE P12821 1/20 0.36
CPB2 Q96IY4 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
F2 P00734 2/20 0.35
PLG P00747 2/20 0.35
PLAT P00750 2/20 0.35
PRSS1 P07477 1/20 0.35
GSR P00390 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
MMP2 P08253 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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 SCHEMBL7802033 1.00 LMNA (0.37) LMNAACECPB2MEN1KMT2A
Lysine SCHEMBL7802036 1.00 LMNA (0.37) LMNAACECPB2MEN1KMT2A
Phenylacetic Acid SCHEMBL7800378 0.97 LMNA (0.38) LMNAACECPB2MEN1KMT2A
Phenylacetic Acid SCHEMBL7800375 0.97 LMNA (0.38) LMNAACECPB2MEN1KMT2A
Phenylacetic Acid SCHEMBL7801855 0.94 LMNA (0.39) LMNAMEN1KMT2ATDP1BCHE
Phenylacetic Acid SCHEMBL7801858 0.94 LMNA (0.39) LMNAMEN1KMT2ATDP1BCHE
Lysine SCHEMBL7798508 0.92 GSR (0.41) CPB2MEN1KMT2AF2PLG
Lysine SCHEMBL7800575 0.92 GSR (0.41) CPB2MEN1KMT2AF2PLG
Lysine SCHEMBL7798504 0.92 GSR (0.41) CPB2MEN1KMT2AF2PLG
Lysine SCHEMBL7798130 0.92 GSR (0.41) CPB2MEN1KMT2AF2PLG

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