Arginine

Arginine

SCHEMBL10866875

C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O

nearest known ligand 0.40

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 19)

geneUniProtsupporting neighboursconfidence
▸ ACE known ✓ P12821 12/20 0.40
▸ REN P00797 4/20 0.40
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PEPD P12955 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ GRB2 P62993 1/20 0.37
▸ XPNPEP2 O43895 1/20 0.37

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
SCHEMBL30974453 0.89 ACE (0.40) ACERENLMNAKDM4EF2
Arginine SCHEMBL7265626 0.87 ACE (0.38) ACERENLMNAKDM4EF2
Arginine SCHEMBL7270511 0.87 ACE (0.38) ACERENLMNAKDM4EF2
Arginine SCHEMBL10656209 0.87 ACE (0.44) ACELMNAACE2
SCHEMBL7272757 0.86 ACE (0.43) ACERENLMNAKDM4EF2
SCHEMBL11037632 0.86 ACE (0.43) ACERENLMNAKDM4EF2
Arginine SCHEMBL10653944 0.86 ACE (0.51) ACELMNA
Arginine SCHEMBL10654662 0.86 ACE (0.43) ACELMNAACE2
SCHEMBL30167875 0.85 CAPN1 (0.38) ACEREN
Arginine SCHEMBL7263651 0.85 DPP4 (0.46) ACE

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
EP-0173510-A2 Tripeptide derivatives for use as anti-hypertensive agents AJINOMOTO CO., INC. (JP) 1986-03-05 — — EP disclosed
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