Lysine

Lysine

SCHEMBL7798424

CCCC(=O)Nc1ccc(C=O)cc1.NCCCC[C@H](N)C(=O)O.NCCc1ccccc1.O=C(O)Cc1ccccc1

nearest known ligand 0.47

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 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.47
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
TRPV1 Q8NER1 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 SCHEMBL7798422 1.00 LTA4H (0.47) LTA4HMAPTALDH1A1HPGDSLC1A3
Phenylacetic Acid SCHEMBL7802503 0.97 LTA4H (0.48) LTA4HMAPTALDH1A1HPGDSLC1A3
Phenylacetic Acid SCHEMBL7802505 0.97 LTA4H (0.48) LTA4HMAPTALDH1A1HPGDSLC1A3
Lysine SCHEMBL7798546 0.96 LTA4H (0.46) LTA4HMAPTALDH1A1SLC1A3SLC1A2
Lysine SCHEMBL7798544 0.96 LTA4H (0.46) LTA4HMAPTALDH1A1SLC1A3SLC1A2
Lysine SCHEMBL7802695 0.95 LTA4H (0.46) LTA4HMAPTALDH1A1HPGDSLC1A3
Lysine SCHEMBL7800526 0.95 LTA4H (0.51) LTA4HMAPTALDH1A1HPGDSLC1A3
Lysine SCHEMBL7800523 0.95 LTA4H (0.51) LTA4HMAPTALDH1A1HPGDSLC1A3
Lysine SCHEMBL7801686 0.95 LTA4H (0.43) LTA4HMAPTALDH1A1HPGDSLC1A3
Lysine SCHEMBL7801684 0.95 LTA4H (0.43) LTA4HMAPTALDH1A1HPGDSLC1A3

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