Sugi Predict

Sugi Predict / Compounds / Valsartan

Valsartan

Valsartan

SCHEMBL1828137

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C.CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AGTR1

The experimentally established mechanism targets of Valsartan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 known ✓ P30556 19/20 0.86
▸ LTB4R2 Q9NPC1 2/20 0.86
▸ ABCB11 O95342 1/20 0.86
▸ GP6 Q9HCN6 1/20 0.86
▸ AGTR2 P50052 6/20 0.50

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
Valsartan SCHEMBL8476946 0.93 AGTR1 (1.00) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL29406387 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL2542 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL1560689 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL2329 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL24722321 0.93 AGTR1 (1.00) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL29518879 0.93 AGTR1 (1.00) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL157179 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL21408288 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL2328 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6

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
EP-2319525-A1 Composition for treating insulin resistance Universitätsklinikum Hamburg-Eppendorf (DE) 2011-05-11 — — EP disclosed