SCHEMBL2965

SCHEMBL2965

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

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.67
LTB4R2 Q9NPC1 9/20 0.56
ABCB11 O95342 1/20 0.56
GP6 Q9HCN6 1/20 0.56
AGTR2 P50052 2/20 0.39

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
SCHEMBL2966 1.00 AGTR1 (0.67) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2583 0.97 AGTR1 (0.71) AGTR1LTB4R2ABCB11GP6
SCHEMBL2635 0.97 AGTR1 (0.71) AGTR1LTB4R2ABCB11GP6
SCHEMBL2582 0.97 AGTR1 (0.71) AGTR1LTB4R2ABCB11GP6
SCHEMBL7271546 0.93 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL7271536 0.93 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8482350 0.91 AGTR1 (0.57) AGTR1LTB4R2ABCB11GP6
SCHEMBL684210 0.91 AGTR1 (0.68) AGTR1LTB4R2ABCB11GP6
SCHEMBL8487726 0.89 AGTR1 (0.60) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL21408288 0.88 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 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