SCHEMBL3026

SCHEMBL3026

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.39
LTB4R2 Q9NPC1 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
ABCB11 O95342 1/20 0.36
GP6 Q9HCN6 1/20 0.36
AGTR2 P50052 5/20 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
SCHEMBL7279125 1.00 AGTR1 (0.39) AGTR1LTB4R2TDP1ABCB11GP6
SCHEMBL3513 0.88 AGTR1 (0.48) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3514 0.88 AGTR1 (0.48) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3016 0.83 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3017 0.83 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL7280315 0.79 LTB4R2 (0.37) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8345617 0.79 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL2568 0.78 AGTR1 (0.39) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2816498 0.75 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL2816494 0.75 AGTR1 (0.36) AGTR1AGTR2

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 5 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-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 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
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed