SCHEMBL2967

SCHEMBL2967

CCCCOC(=O)C1(CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(=O)CCCC)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.46
LTB4R2 Q9NPC1 9/20 0.42
AGTR2 P50052 2/20 0.40
ABCB11 O95342 1/20 0.38
GP6 Q9HCN6 1/20 0.38

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
SCHEMBL2864 0.96 AGTR1 (0.47) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL682687 0.95 AGTR1 (0.47) AGTR1LTB4R2AGTR2ABCB11GP6
Abitesartan SCHEMBL2527 0.90 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6
SCHEMBL3104 0.89 AGTR1 (0.50) AGTR1LTB4R2ABCB11GP6
SCHEMBL8486732 0.89 AGTR1 (0.41) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL7270763 0.88 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6
SCHEMBL2839 0.87 AGTR1 (0.41) AGTR1LTB4R2AGTR2ABCB11GP6
Abitesartan SCHEMBL8473295 0.85 AGTR1 (0.47) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL2959 0.85 AGTR1 (0.47) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL7279099 0.84 AGTR1 (0.46) AGTR1LTB4R2AGTR2ABCB11GP6

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 4 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