Lysine

Lysine

SCHEMBL7802633

CCCC(=O)Nc1ccc(C=O)cc1.N.NCCCC[C@H](N)C(=O)O.O=C(O)Cc1ccc(Br)cc1

nearest known ligand 0.42

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
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LTA4H P09960 6/20 0.39
IDO1 P14902 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TERT O14746 2/20 0.36

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
Ornithine SCHEMBL7800424 0.97 MEN1 (0.42) MEN1KMT2ALTA4HIDO1HDAC3
Lysine SCHEMBL7801686 0.94 LTA4H (0.43) MEN1KMT2ALTA4HHDAC3HDAC4
Lysine SCHEMBL7801684 0.94 LTA4H (0.43) MEN1KMT2ALTA4HHDAC3HDAC4
Lysine SCHEMBL7802695 0.92 LTA4H (0.46) LTA4HMAPTALDH1A1HPGDKDM4E
Lysine SCHEMBL7801579 0.91 ENPP2 (0.42) MEN1KMT2ALTA4HIDO1
Lysine SCHEMBL7801581 0.91 ENPP2 (0.42) MEN1KMT2ALTA4HIDO1
Ornithine SCHEMBL7800201 0.91 LTA4H (0.44) MEN1KMT2ALTA4HHDAC3HDAC4
Ornithine Aketoglutarate SCHEMBL7800197 0.91 LTA4H (0.44) MEN1KMT2ALTA4HHDAC3HDAC4
Lysine SCHEMBL8039364 0.90 KDM4E (0.45) MEN1KMT2ALTA4HMAPTALDH1A1
Phenylacetic Acid SCHEMBL7802632 0.89 LTA4H (0.47) LTA4HMAPTALDH1A1HPGDKDM4E

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