Lysine

Lysine

SCHEMBL7801523

CC(=O)Nc1ccc(C=O)cc1.COc1ccc(CC(=O)O)cc1.NCCCC[C@H](N)C(=O)O.NCCc1ccccc1

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 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
MAPK1 P28482 1/20 0.39
KLK7 P49862 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
FPR2 P25090 1/20 0.38

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 SCHEMBL7801526 1.00 LTA4H (0.45) LTA4HKDM4EPOLBALDH1A1RAB9A
Ornithine Aketoglutarate SCHEMBL7792959 0.97 KDM4E (0.44) LTA4HKDM4EPOLBALDH1A1RAB9A
Ornithine SCHEMBL7792961 0.97 KDM4E (0.44) LTA4HKDM4EPOLBALDH1A1RAB9A
Lysine SCHEMBL7800261 0.93 KDM4E (0.48) LTA4HKDM4EPOLBALDH1A1RAB9A
Lysine SCHEMBL7798100 0.93 LTA4H (0.44) LTA4HKDM4EALDH1A1SMN1; SMN2DPP8
Lysine SCHEMBL7798098 0.93 LTA4H (0.44) LTA4HKDM4EALDH1A1SMN1; SMN2DPP8
P-Anisic Acid SCHEMBL7798469 0.91 LTA4H (0.46) LTA4HKDM4EALDH1A1RAB9AMAPT
P-Anisic Acid SCHEMBL7798467 0.91 LTA4H (0.46) LTA4HKDM4EALDH1A1RAB9AMAPT
Ornithine SCHEMBL8037246 0.91 KDM4E (0.49) LTA4HKDM4EPOLBALDH1A1RAB9A
Phenylacetic Acid SCHEMBL7798111 0.91 LTA4H (0.42) LTA4HKDM4EPOLBALDH1A1MAPT

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