Lysine

Lysine

SCHEMBL7798595

CCCC(=O)Nc1ccc(C=O)cc1.N.NCCCC[C@H](N)C(=O)O.O=C(O)c1ccc(Cl)cc1

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
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS12 P56730 1/20 0.41
CTDSP1 Q9GZU7 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LTA4H P09960 3/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
THRB P10828 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
KDM4E B2RXH2 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
4-Chloro-Benzoic Acid SCHEMBL7802524 0.97 CTDSP1 (0.41) F2F10PLGPLATKLKB1
Lysine SCHEMBL7800060 0.93 LTA4H (0.44) F2F10PLGPLATKLKB1
Lysine SCHEMBL7800061 0.93 LTA4H (0.44) F2F10PLGPLATKLKB1
Lysine SCHEMBL7792545 0.92 LTA4H (0.47) LTA4HMAPTALDH1A1HPGDKDM4E
Lysine SCHEMBL8035756 0.91 ENPP2 (0.40) F2F10PLGPLATKLKB1
Lysine SCHEMBL7799201 0.91 LTA4H (0.48) LTA4HTHRBMAPTALDH1A1HPGD
Lysine SCHEMBL7798288 0.91 LTA4H (0.48) LTA4HTHRBMAPTALDH1A1HPGD
4-Chloro-Benzoic Acid SCHEMBL7798237 0.90 LTA4H (0.44) CTDSP1TDP1LTA4HMAPTALDH1A1
4-Chloro-Benzoic Acid SCHEMBL7798233 0.90 LTA4H (0.44) CTDSP1TDP1LTA4HMAPTALDH1A1
Lysine SCHEMBL8041470 0.89 LTA4H (0.49) LTA4HTHRBMAPTALDH1A1HPGD

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