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Sugi Predict / Compounds / Arginine

Arginine

Arginine

SCHEMBL6482306

CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)Oc1ccc(C[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)OC(=O)[C@H](C)N)cc1.CC[C@H](C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1

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 3)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 12/20 0.40
▸ GLP1R P43220 7/20 0.39
▸ GCGR P47871 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
Tryptophan SCHEMBL5820703 0.95 PTH1R (0.39) PTH1RGLP1R
Phenylalanine SCHEMBL6479234 0.95 GLP1R (0.35) PTH1RGLP1RGCGR
Arginine SCHEMBL6438609 0.94 PTH1R (0.41) PTH1RGLP1R
Tryptophan SCHEMBL10623343 0.92 GLP1R (0.39) PTH1RGLP1RGCGR
Arginine SCHEMBL8152157 0.92 GLP1R (0.38) PTH1RGLP1R
Phenylalanine SCHEMBL6437396 0.91 GLP1R (0.34) PTH1RGLP1RGCGR
Tryptophan SCHEMBL9295342 0.91 PTH1R (0.40) PTH1RGLP1RGCGR
Phenylalanine SCHEMBL6438432 0.91 GLP1R (0.34) PTH1RGLP1RGCGR
Tryptophan SCHEMBL10619278 0.91 GLP1R (0.41) PTH1RGLP1RGCGR
Phenylalanine SCHEMBL6563941 0.90 GLP1R (0.34) PTH1RGLP1RGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562578-A1 THERAPEUTIC DELIVERY OF CARBON MONOXIDE TO EXTRACORPOREAL AND ISOLATED ORGANS Hemocorm Limited (GB) 2005-08-17 — — EP disclosed
WO-2004045598-A1 THERAPEUTIC DELIVERY OF CARBON MONOXIDE TO EXTRACORPOREAL AND ISOLATED ORGANS HEMOCORM LIMITED (GB) 2004-06-03 — — WO disclosed