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Saralasin

Saralasin

SCHEMBL1650804

CC(=O)O.CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AGTR1

The experimentally established mechanism targets of Saralasin. 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
▸ AGTR1 known ✓ P30556 5/20 0.80
▸ AGTR2 P50052 9/20 0.78
▸ FCGRT P55899 2/20 0.66

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
Saralasin SCHEMBL24 0.99 AGTR1 (0.82) AGTR1AGTR2FCGRT
SCHEMBL29463333 0.92 AGTR2 (0.89) AGTR1AGTR2
Acetic Acid SCHEMBL34470176 0.92 AGTR2 (0.83) AGTR1AGTR2
SCHEMBL29720225 0.91 AGTR2 (0.84) AGTR1AGTR2FCGRT
Saralasin SCHEMBL29481947 0.89 AGTR1 (0.66) AGTR1AGTR2FCGRT
Angiotensin-Ii SCHEMBL34470359 0.87 AGTR2 (0.90) AGTR1AGTR2
Trv-120027 SCHEMBL29382211 0.87 AGTR1 (0.73) AGTR1AGTR2
Angiotensin Amide SCHEMBL21811345 0.86 AGTR2 (0.86) AGTR1AGTR2
Arfalasin SCHEMBL23360777 0.86 AGTR1 (0.72) AGTR1AGTR2FCGRT
Arfalasin SCHEMBL23360776 0.86 AGTR1 (0.72) AGTR1AGTR2FCGRT

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
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 — — US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 — — US disclosed