Arginine

Arginine

SCHEMBL7363826

CC(C)(C)C(C(=O)O)S(=O)(=O)C[C@H](N)C(=O)OS(=O)(=O)CC12CCC(CC1=O)C2(C)C.CNCC(=O)O.N=C(N)NCCC[C@H](N)C(=O)O

nearest known ligand 0.39

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 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA5A P35218 4/20 0.32
CA5B Q9Y2D0 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 3/20 0.31
ITGB3 P05106 2/20 0.31
ITGAV P06756 2/20 0.31
F10 P00742 1/20 0.31
MEN1 O00255 2/20 0.30

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
SCHEMBL28791954 0.83 F2 (0.48) F2PRSS1PRSS2PRSS3ALDH1A1
Arginine SCHEMBL7360830 0.82 CYP1A2 (0.43) F2PRSS1PRSS2PRSS3ALDH1A1
Arginine SCHEMBL7359466 0.82 F10 (0.36) F2PRSS1PRSS2PRSS3CYP1A2
Arginine SCHEMBL7359600 0.80 ITGB3 (0.47) F2PRSS1PRSS2PRSS3ALDH1A1
Arginine SCHEMBL28791955 0.78 F2 (0.47) F2PRSS1PRSS2PRSS3ALDH1A1
Arginine SCHEMBL7363181 0.77 ITGB3 (0.43) F2PRSS1PRSS2PRSS3ALDH1A1
Sarcosine SCHEMBL8800845 0.76 ITGB3 (0.49) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL28791957 0.70 F2 (0.48) F2PRSS1PRSS2PRSS3ALDH1A1
Sarcosine SCHEMBL8008378 0.69 CYP1A2 (0.41) F2PRSS1PRSS2PRSS3ALDH1A1
Arginine SCHEMBL5598764 0.66 OTC (0.46) CYP1A2CYP2C19KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025472-A PEPTIDE ALDEHYDES WHICH ARE POTENT INHIBITORS OF FACTOR XA, USEFUL AS THERAPEUTIC AGENTS FOR DISEASE STATES IN MAMMALS CHARACTERIZED BY ABNORMAL THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 2000-02-15 US disclosed
US-5696231-A ANTICOAGULANTS; CARDIOVASCULAR DISORDERS CORVAS INTERNATIONAL, INC. (US) 1997-12-09 US disclosed
WO-1996019493-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1996-06-27 WO disclosed