Arginine

Arginine

SCHEMBL7359770

CNCC(=O)O.N=C(N)NCCC[C@@H](NS(=O)(=O)c1ccccc1C(=O)O)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O

nearest known ligand 0.40

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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 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ CA12 O43570 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ MMP2 P08253 8/20 0.37
▸ MMP9 P14780 8/20 0.37
▸ MMP8 P22894 4/20 0.37
▸ MMP1 P03956 2/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MMP12 P39900 3/20 0.36
▸ MMP14 P50281 3/20 0.36
▸ BMP1 P13497 1/20 0.36
▸ MMP3 P08254 1/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35

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 SCHEMBL7359381 0.83 SLC1A3 (0.41) ITGB3ITGA2BMMP2MMP9MMP1
SCHEMBL6877985 0.78 ITGAV (0.57) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL8492995 0.78 ITGAV (0.57) ITGB3ITGA2BMMP2MMP9MMP8
Sarcosine SCHEMBL8800822 0.78 TMPRSS11D (0.43) ITGB3ITGA2BMMP2MMP9MMP1
Arginine SCHEMBL5598764 0.77 OTC (0.46) —
SCHEMBL7420373 0.75 SLC1A3 (0.53) ITGB3ITGA2BF2ITGAV
SCHEMBL7420368 0.75 SLC1A3 (0.53) ITGB3ITGA2BF2ITGAV
SCHEMBL3448325 0.74 MMP9 (0.58) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL3448321 0.74 MMP9 (0.58) ITGB3ITGA2BMMP2MMP9MMP8
Arginine SCHEMBL28410966 0.74 LARS1 (0.41) ITGB3ITGA2BMMP2MMP9MMP8

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