Lysine

Lysine

SCHEMBL7005326

CCOC(Cc1ccc(OCCn2c(CC)nc3ccccc3c2=O)cc1)C(=O)O.NCCCCC(N)C(=O)O

nearest known ligand 0.56

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 3)

geneUniProtsupporting neighboursconfidence
PPARD known ✓ Q03181 3/20 0.56
PPARG P37231 20/20 0.56
PPARA Q07869 18/20 0.56

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 SCHEMBL7002752 1.00 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL7005331 0.91 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL6555767 0.90 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL7004808 0.89 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL7006234 0.89 PPARG (0.67) PPARGPPARAPPARD
Lithium SCHEMBL7004819 0.89 PPARG (0.67) PPARGPPARAPPARD
Arginine SCHEMBL7004117 0.89 PPARG (0.51) PPARGPPARAPPARD
Arginine SCHEMBL7006540 0.89 PPARG (0.51) PPARGPPARAPPARD
Tromethamine SCHEMBL7004271 0.85 PPARG (0.60) PPARGPPARAPPARD
Lysine SCHEMBL7007772 0.85 PPARG (0.50) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363913-A2 SALTS OF PYRIMIDINE DERIVATIVES FOR USE AGAINST CORONARY HEART DISEASE AND ATHEROSCLEROSE Dr. Reddy's Laboratories Ltd. (IN) 2003-11-26 EP claimed
WO-2002062798-A2 SALTS OF PYRIMIDINE DERIVATIVES FOR USE AGAINST CORONARY HEART DISEASE AND ATHEROSCLEROSE DR. REDDY'S LABORATORIES LTD. (IN) 2002-08-15 WO claimed
EP-1363913-A2 SALTS OF PYRIMIDINE DERIVATIVES FOR USE AGAINST CORONARY HEART DISEASE AND ATHEROSCLEROSE Dr. Reddy's Laboratories Ltd. (IN) 2003-11-26 EP disclosed
WO-2002062798-A2 SALTS OF PYRIMIDINE DERIVATIVES FOR USE AGAINST CORONARY HEART DISEASE AND ATHEROSCLEROSE DR. REDDY'S LABORATORIES LTD. (IN) 2002-08-15 WO disclosed