SCHEMBL1844

SCHEMBL1844

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)CC(C(=O)OCC)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.49
LTB4R2 Q9NPC1 10/20 0.46
ABCB11 O95342 1/20 0.46
GP6 Q9HCN6 1/20 0.46
AGTR2 P50052 1/20 0.40

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
SCHEMBL2816 0.91 AGTR1 (0.52) AGTR1LTB4R2ABCB11GP6
SCHEMBL7272040 0.89 AGTR1 (0.52) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL28456750 0.89 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL7270083 0.86 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL683543 0.84 AGTR1 (0.64) AGTR1LTB4R2ABCB11GP6
SCHEMBL6683646 0.84 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL2118 0.83 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6AGTR2
Acetic Acid SCHEMBL28371506 0.82 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL3115 0.82 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL7271922 0.82 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6AGTR2

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 6 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
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
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