SCHEMBL2816

SCHEMBL2816

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.52
LTB4R2 Q9NPC1 11/20 0.51
ABCB11 O95342 1/20 0.51
GP6 Q9HCN6 1/20 0.51

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
SCHEMBL1844 0.91 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6
SCHEMBL7270083 0.91 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL7272040 0.90 AGTR1 (0.52) AGTR1LTB4R2ABCB11GP6
SCHEMBL28456750 0.90 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL6683646 0.88 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL10033 0.85 AGTR1 (0.70) AGTR1LTB4R2ABCB11GP6
SCHEMBL7271855 0.85 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6
SCHEMBL2673 0.84 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6
SCHEMBL2118 0.84 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL157179 0.84 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 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