SCHEMBL2959

SCHEMBL2959

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)CC1(C(=O)NCc2ccccc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.47
LTB4R2 Q9NPC1 9/20 0.46
ABCB11 O95342 1/20 0.40
GP6 Q9HCN6 1/20 0.40
AGTR2 P50052 1/20 0.37

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
Abitesartan SCHEMBL2527 0.90 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6
SCHEMBL3104 0.90 AGTR1 (0.50) AGTR1LTB4R2ABCB11GP6
SCHEMBL2834 0.88 AGTR1 (0.43) AGTR1LTB4R2ABCB11GP6AGTR2
Abitesartan SCHEMBL8473295 0.88 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL7270763 0.87 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6
SCHEMBL2864 0.87 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL682687 0.87 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2967 0.85 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL7278225 0.83 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8482137 0.83 AGTR1 (0.43) 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 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