Arginine

Arginine

SCHEMBL4824344

CCOC(Cc1ccc(NCCN2CCOc3ccccc32)cc1)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACE

The experimentally established mechanism targets of Arginine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.45
PPARA Q07869 11/20 0.45
TSHR P16473 4/20 0.36
HPGD P15428 1/20 0.36
PPARD Q03181 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 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
Arginine SCHEMBL4824341 1.00 PPARG (0.45) PPARGPPARATSHRHPGDPPARD
Arginine SCHEMBL4826312 0.96 PPARG (0.44) PPARGPPARATSHRHPGDPPARD
Arginine SCHEMBL4826319 0.96 PPARG (0.44) PPARGPPARATSHRHPGDPPARD
SCHEMBL4824348 0.91 PPARG (0.38) PPARGPPARATSHRHPGDLMNA
Arginine SCHEMBL4822377 0.90 PPARG (0.50) PPARGPPARAPPARD
Arginine SCHEMBL4867119 0.90 PPARG (0.52) PPARGPPARAPPARD
Arginine SCHEMBL4867150 0.90 PPARG (0.52) PPARGPPARAPPARD
Arginine SCHEMBL4822370 0.90 PPARG (0.50) PPARGPPARAPPARD
Arginine SCHEMBL4824934 0.89 PPARG (0.40) PPARGPPARATSHRHPGD
Arginine SCHEMBL4824931 0.89 PPARG (0.40) PPARGPPARATSHRHPGD

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-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed