Lysine

Lysine

SCHEMBL7798746

NC1CCCCC1.NCCCC[C@@H](N)C(=O)O.O=Cc1ccc(Cl)cc1Cl.[H+]

nearest known ligand 0.40

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 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CPB2 Q96IY4 2/20 0.37
F2 P00734 2/20 0.35
PLG P00747 2/20 0.35
PLAT P00750 2/20 0.35
F10 P00742 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS12 P56730 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
METAP2 P50579 4/20 0.34
METAP1 P53582 1/20 0.33
DPP8 Q6V1X1 3/20 0.32
DPP7 Q9UHL4 3/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
PRSS1 P07477 1/20 0.32

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 SCHEMBL7793016 1.00 GSR (0.40) GSRTDP1CPB2F2PLG
Lysine SCHEMBL7798130 0.99 GSR (0.41) GSRTDP1CPB2F2PLG
Lysine SCHEMBL7798508 0.99 GSR (0.41) GSRTDP1CPB2F2PLG
Lysine SCHEMBL7800575 0.99 GSR (0.41) GSRTDP1CPB2F2PLG
Lysine SCHEMBL7798504 0.99 GSR (0.41) GSRTDP1CPB2F2PLG
Lysine SCHEMBL7798018 0.98 GSR (0.42) GSRTDP1CPB2F2PLG
Ornithine SCHEMBL7802675 0.97 TDP1 (0.41) GSRTDP1CPB2F2PLG
Lysine SCHEMBL8035800 0.96 GSR (0.39) GSRTDP1CPB2F2PLG
Lysine SCHEMBL7793039 0.96 GSR (0.39) GSRTDP1CPB2F2PLG
Ornithine SCHEMBL7792531 0.96 TDP1 (0.42) GSRTDP1CPB2F2PLG

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 2 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
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO disclosed