Lysine

Lysine

SCHEMBL7800060

CCCC(=O)Nc1ccc(C=O)cc1.NCCCCC(N)C(=O)O.NCCc1ccccc1.O=C(O)c1ccc(Cl)cc1

nearest known ligand 0.44

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
LTA4H P09960 9/20 0.44
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS12 P56730 1/20 0.38
CACNA1G O43497 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
RAB9A P51151 1/20 0.38
PTGER1 P34995 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 SCHEMBL7800061 1.00 LTA4H (0.44) LTA4HTDP1POLBALDH1A1MAPT
4-Chloro-Benzoic Acid SCHEMBL7798237 0.98 LTA4H (0.44) LTA4HTDP1POLBALDH1A1MAPT
4-Chloro-Benzoic Acid SCHEMBL7798233 0.98 LTA4H (0.44) LTA4HTDP1POLBALDH1A1MAPT
Lysine SCHEMBL7801365 0.94 LTA4H (0.47) LTA4HTDP1POLBALDH1A1MAPT
Lysine SCHEMBL7798595 0.93 F2 (0.41) LTA4HTDP1POLBALDH1A1MAPT
Ornithine SCHEMBL7801382 0.92 LTA4H (0.48) LTA4HTDP1POLBALDH1A1MAPT
Lysine SCHEMBL7800526 0.92 LTA4H (0.51) LTA4HTDP1POLBALDH1A1MAPT
Lysine SCHEMBL7800523 0.92 LTA4H (0.51) LTA4HTDP1POLBALDH1A1MAPT
P-Anisic Acid SCHEMBL7801554 0.91 LTA4H (0.49) LTA4HTDP1POLBALDH1A1MAPT
P-Anisic Acid SCHEMBL7801551 0.91 LTA4H (0.49) LTA4HTDP1POLBALDH1A1MAPT

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