SCHEMBL2803

SCHEMBL2803

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.61
LTB4R2 Q9NPC1 7/20 0.61
ABCB11 O95342 1/20 0.61
GP6 Q9HCN6 1/20 0.61
AGTR2 P50052 1/20 0.39

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
SCHEMBL2804 1.00 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8487102 0.92 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6
SCHEMBL12600308 0.90 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL21408288 0.90 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL29406387 0.90 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL157179 0.90 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL1560689 0.90 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL2329 0.90 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL2542 0.90 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
SCHEMBL13816890 0.90 AGTR1 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP claimed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed