Lysine

Lysine

SCHEMBL7801439

COCC(=O)O.NC1CCCCC1.NCCCC[C@H](N)C(=O)O.O=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.38

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
GSR P00390 1/20 0.36
DPP8 Q6V1X1 2/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
CPB2 Q96IY4 2/20 0.34
CTSB P07858 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRM1 Q13255 1/20 0.34
ACE P12821 1/20 0.34
DPP9 Q86TI2 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 SCHEMBL7801442 1.00 GSR (0.36) GSRDPP8MMP2MMP9PPARG
Ornithine SCHEMBL7798300 0.97 PPARG (0.35) GSRDPP8MMP2MMP9PPARG
Ornithine Aketoglutarate SCHEMBL7798303 0.97 PPARG (0.35) GSRDPP8MMP2MMP9PPARG
Lysine SCHEMBL7798348 0.92 GSR (0.43) GSRDPP8MMP2MMP9PPARG
Lysine SCHEMBL7792738 0.92 GSR (0.43) GSRDPP8MMP2MMP9PPARG
Lysine SCHEMBL7792734 0.92 GSR (0.43) GSRDPP8MMP2MMP9PPARG
Lysine SCHEMBL7800895 0.92 GSR (0.43) GSRDPP8MMP2MMP9PPARG
Lysine SCHEMBL7802269 0.91 GSR (0.41) GSRDPP8MMP2MMP9PPARG
Lysine SCHEMBL7798033 0.91 GSR (0.41) GSRDPP8MMP2MMP9PPARG
Lysine SCHEMBL7802023 0.91 GSR (0.41) GSRDPP8MMP2MMP9PPARG

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