Lysine

Lysine

SCHEMBL8041500

CS(=O)(=O)c1ccc(C=O)cc1.NC1CCCCC1.NCCCC[C@H](N)C(=O)O

nearest known ligand 0.41

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
PTGS2 known ✓ P35354 1/20 0.33
GSR P00390 1/20 0.41
GRM4 Q14833 1/20 0.40
THRB P10828 1/20 0.39
EPHX1 P07099 1/20 0.38
KMT2A Q03164 1/20 0.35
AKR1C3 P42330 2/20 0.34
MMP2 P08253 3/20 0.34
MMP9 P14780 3/20 0.34
CCR5 P51681 2/20 0.34
CPB2 Q96IY4 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
MAOB P27338 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP13 P45452 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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 SCHEMBL8041501 1.00 GSR (0.41) GSRGRM4THRBEPHX1KMT2A
Cyclohexylamine SCHEMBL8025602 0.88 EPHX1 (0.41) GRM4EPHX1KMT2AAKR1C3MMP2
Cyclohexylamine SCHEMBL8025607 0.88 EPHX1 (0.41) GRM4EPHX1KMT2AAKR1C3MMP2
Lysine SCHEMBL8035311 0.86 GSR (0.46) GSRGRM4THRBCPB2DPP8
Lysine SCHEMBL8035316 0.86 GSR (0.46) GSRGRM4THRBCPB2DPP8
Lysine SCHEMBL8039122 0.86 GSR (0.48) GSRKMT2AMMP2CPB2DPP8
Cuminaldehyde SCHEMBL8025615 0.85 GSR (0.43) GSRTHRBEPHX1KMT2ACPB2
Lysine SCHEMBL8037527 0.85 GSR (0.44) GSRKMT2ADPP8
Lysine SCHEMBL8037285 0.85 GSR (0.44) GSRTHRBKMT2ACPB2DPP8
Lysine SCHEMBL8025620 0.85 GSR (0.44) GSRGRM4EPHX1KMT2AMMP2

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