Lysine

Lysine

SCHEMBL7792973

CCCCOc1ccc(C=O)cc1.NCCCC[C@H](N)C(=O)O.NCCc1ccccc1.O=C(O)Cc1ccccc1

nearest known ligand 0.45

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 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.45
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
LTB4R Q15722 2/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
PLA2G4B P0C869 2/20 0.41
PTGES O14684 3/20 0.40
ALOX5 P09917 3/20 0.40
PPARG P37231 3/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39

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 SCHEMBL7792976 1.00 LTA4H (0.45) LTA4HITGB3ITGA2BLTB4RLTB4R2
Lysine SCHEMBL7798394 0.97 LTA4H (0.44) LTA4HITGB3ITGA2BLTB4RLTB4R2
Lysine SCHEMBL7798391 0.97 LTA4H (0.44) LTA4HITGB3ITGA2BLTB4RLTB4R2
Phenylacetic Acid SCHEMBL8025514 0.97 LTA4H (0.46) LTA4HITGB3ITGA2BLTB4RLTB4R2
Phenylacetic Acid SCHEMBL8025515 0.97 LTA4H (0.46) LTA4HITGB3ITGA2BLTB4RLTB4R2
Lysine SCHEMBL7792810 0.95 LTA4H (0.48) LTA4HITGB3ITGA2BPTGESALOX5
Lysine SCHEMBL7792811 0.95 LTA4H (0.48) LTA4HITGB3ITGA2BPTGESALOX5
Phenylacetic Acid SCHEMBL7802702 0.94 LTA4H (0.45) LTA4HITGB3ITGA2BLTB4RLTB4R2
Phenylacetic Acid SCHEMBL7802699 0.94 LTA4H (0.45) LTA4HITGB3ITGA2BLTB4RLTB4R2
Lysine SCHEMBL7802706 0.94 LTA4H (0.44) LTA4HITGB3ITGA2BLTB4RLTB4R2

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