SCHEMBL2820

SCHEMBL2820

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

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.74
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
SCHEMBL2178 1.00 AGTR1 (0.74) AGTR1LTB4R2ABCB11GP6
SCHEMBL682685 0.95 AGTR1 (0.66) AGTR1LTB4R2ABCB11GP6
SCHEMBL9490562 0.95 AGTR1 (0.66) AGTR1LTB4R2ABCB11GP6
SCHEMBL682686 0.92 AGTR1 (0.63) AGTR1LTB4R2ABCB11GP6
SCHEMBL1721 0.91 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL2598 0.91 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL683899 0.90 AGTR1 (0.60) AGTR1LTB4R2ABCB11GP6
SCHEMBL2879 0.90 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6
SCHEMBL684192 0.90 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6
SCHEMBL9488684 0.90 AGTR1 (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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