Lysine

Lysine

SCHEMBL8041480

COc1ccc(C=O)cc1C.NC1CCCCC1.NCCCC[C@H](N)C(=O)O

nearest known ligand 0.39

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
GSR P00390 1/20 0.39
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
CYP2C9 P11712 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 5/20 0.35
AOX1 Q06278 1/20 0.35
CPB2 Q96IY4 1/20 0.35
HPGD P15428 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
FDPS P14324 1/20 0.34
MEN1 O00255 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
Lysine SCHEMBL8041481 1.00 GSR (0.39) GSRGRIK1GRIK2KDM4ESMN1; SMN2
Lysine SCHEMBL8039183 0.90 GSR (0.39) GSRGRIK1GRIK2KDM4ESMN1; SMN2
Lysine SCHEMBL8039180 0.90 GSR (0.39) GSRGRIK1GRIK2KDM4ESMN1; SMN2
Isovanillin SCHEMBL8041270 0.90 ALDH1A1 (0.48) GSRGRIK1GRIK2KDM4ESMN1; SMN2
Isovanillin SCHEMBL8041267 0.90 ALDH1A1 (0.48) GSRGRIK1GRIK2KDM4ESMN1; SMN2
Cyclohexylamine SCHEMBL8025659 0.89 GRIK1 (0.40) GRIK1GRIK2KDM4ESMN1; SMN2TSHR
Cyclohexylamine SCHEMBL8025661 0.89 GRIK1 (0.40) GRIK1GRIK2KDM4ESMN1; SMN2TSHR
Lysine SCHEMBL8041442 0.85 GSR (0.43) GSRCPB2DPP8
Lysine SCHEMBL8041446 0.85 GSR (0.43) GSRCPB2DPP8
Cyclohexylamine SCHEMBL7798563 0.85 ALDH1A1 (0.42) KDM4ESMN1; SMN2TSHRNPC1CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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