Lysine

Lysine

SCHEMBL7802939

CC(=O)Nc1ccc(C=O)cc1.NC1CCCCC1.NCCCC[C@H](N)C(=O)O.O=C(O)Cc1ccccc1

nearest known ligand 0.41

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
DPP8 Q6V1X1 4/20 0.41
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
LTA4H P09960 3/20 0.40
CCR5 P51681 2/20 0.38
PRSS1 P07477 2/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
MMP2 P08253 1/20 0.35
GRIN2B Q13224 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GSR P00390 1/20 0.34

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 SCHEMBL7793380 1.00 DPP8 (0.41) DPP8DPP4DPP7LTA4HCCR5
Lysine SCHEMBL7793383 1.00 DPP8 (0.41) DPP8DPP4DPP7LTA4HCCR5
Phenylacetic Acid SCHEMBL7799134 0.97 CCR5 (0.38) DPP8DPP4DPP7LTA4HCCR5
Phenylacetic Acid SCHEMBL7802623 0.97 CCR5 (0.38) DPP8DPP4DPP7LTA4HCCR5
Phenylacetic Acid SCHEMBL7799137 0.97 CCR5 (0.38) DPP8DPP4DPP7LTA4HCCR5
Phenylacetic Acid SCHEMBL7798441 0.94 CCR5 (0.39) LTA4HCCR5PRSS1SLC1A3SLC1A2
Phenylacetic Acid SCHEMBL7798438 0.94 CCR5 (0.39) LTA4HCCR5PRSS1SLC1A3SLC1A2
Lysine SCHEMBL7802671 0.93 DPP8 (0.39) DPP8DPP4DPP7LTA4HCCR5
Lysine SCHEMBL7802667 0.93 DPP8 (0.39) DPP8DPP4DPP7LTA4HCCR5
Lysine SCHEMBL8041332 0.92 DPP8 (0.46) DPP8DPP4DPP7LTA4HMMP2

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