Arginine

Arginine

SCHEMBL7359463

CC12CCC(C(S(=O)(=O)N[C@H](Cc3cccnc3)C(=O)O)C1=O)C2(C)C.CNCC(=O)O.N=C(N)NCCCC(N)C(=O)O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACES1PR1S1PR4S1PR5

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 4)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.36
FOLH1 Q04609 1/20 0.33
KISS1R Q969F8 2/20 0.31
TBXAS1 P24557 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
Sarcosine SCHEMBL8008376 0.88 CPB2 (0.44) CPB2TBXAS1
SCHEMBL7394043 0.82 CPB2 (0.48) CPB2TBXAS1
Arginine SCHEMBL7364644 0.81 ITGB3 (0.40) FOLH1KISS1RTBXAS1
SCHEMBL7356951 0.79 CPB2 (0.41) CPB2
Arginine SCHEMBL7359466 0.75 F10 (0.36) CPB2
Arginine SCHEMBL7364647 0.73 TBXAS1 (0.34) FOLH1KISS1RTBXAS1
Arginine SCHEMBL7359381 0.69 SLC1A3 (0.41)
Arginine SCHEMBL7359600 0.67 ITGB3 (0.47)
Arginine SCHEMBL5598764 0.66 OTC (0.46)
Sarcosine SCHEMBL7358185 0.65 ITGB3 (0.47) CPB2TBXAS1

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
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
EP-0801654-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1997-10-22 EP disclosed
WO-1996019493-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1996-06-27 WO disclosed