Lysine

Lysine

SCHEMBL7800517

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

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 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GSR P00390 1/20 0.38
LTA4H P09960 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
THRB P10828 1/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
FPR2 P25090 1/20 0.34

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 SCHEMBL7792680 0.97 MEN1 (0.46) MEN1KMT2ALTA4HMAPTKDM4E
Lysine SCHEMBL7802639 0.93 KMT2A (0.40) MEN1KMT2ALTA4HKDM4EDPP8
Lysine SCHEMBL7802634 0.93 KMT2A (0.40) MEN1KMT2ALTA4HKDM4EDPP8
Lysine SCHEMBL7800181 0.91 LTA4H (0.46) KMT2AGSRLTA4HMAPTKDM4E
Lysine SCHEMBL7802671 0.91 DPP8 (0.39) MEN1KMT2ALTA4HMAPTKDM4E
Lysine SCHEMBL7802667 0.91 DPP8 (0.39) MEN1KMT2ALTA4HMAPTKDM4E
Ornithine SCHEMBL7801537 0.90 KMT2A (0.41) MEN1KMT2ALTA4HMAPTKDM4E
Ornithine Aketoglutarate SCHEMBL7801538 0.90 KMT2A (0.41) MEN1KMT2ALTA4HMAPTKDM4E
Lysine SCHEMBL7802633 0.89 MEN1 (0.42) MEN1KMT2ALTA4HMAPTKDM4E
Lysine SCHEMBL7800261 0.89 KDM4E (0.48) MEN1KMT2ALTA4HMAPTKDM4E

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