Arginine

Arginine

SCHEMBL7360830

CC1(C)C2CCC1(CS(=O)(=O)NCC(=O)O)C(=O)C2.CNCC(=O)O.N=C(N)NCCC[C@H](N)C(=O)O

nearest known ligand 0.43

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 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA1 P00915 8/20 0.43
CA2 P00918 8/20 0.43
CA5A P35218 8/20 0.43
CA5B Q9Y2D0 8/20 0.43
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
ALDH1A1 P00352 2/20 0.41
F10 P00742 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP1 P29466 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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 SCHEMBL7359600 0.92 ITGB3 (0.47) CYP1A2CYP2C19CA1CA2CA5A
Arginine SCHEMBL7363181 0.90 ITGB3 (0.43) CYP1A2CYP2C19CA1CA2CA5A
Sarcosine SCHEMBL8800845 0.87 ITGB3 (0.49) CYP1A2CYP2C19CA1CA2CA5A
Arginine SCHEMBL28791955 0.86 F2 (0.47) CYP1A2CYP2C19CA1CA2CA5A
Sarcosine SCHEMBL7363936 0.83 ALDH1A1 (0.58) CYP1A2CYP2C19CA1CA2CA5A
Arginine SCHEMBL7363826 0.82 F2 (0.39) CYP1A2CYP2C19CA1CA2CA5A
Arginine SCHEMBL7359466 0.79 F10 (0.36) CYP1A2CYP2C19CA1CA2CA5A
SCHEMBL7362007 0.79 ALDH1A1 (0.63) CYP1A2CYP2C19CA1CA2CA5A
SCHEMBL28791954 0.78 F2 (0.48) CYP1A2CYP2C19CA1CA2CA5A
Arginine SCHEMBL5598764 0.73 OTC (0.46) CYP1A2CYP2C19MEN1KMT2A

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