SCHEMBL2746

SCHEMBL2746

CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)OC(C)[Si](C)(C)C)cc1)[C@@H](Cc1ccc(F)cc1)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.53
LTB4R2 Q9NPC1 13/20 0.51
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ABCB11 O95342 1/20 0.40
GP6 Q9HCN6 1/20 0.40

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
SCHEMBL2097 0.87 LTB4R2 (0.65) AGTR1LTB4R2
SCHEMBL2872 0.87 LTB4R2 (0.65) AGTR1LTB4R2
SCHEMBL1927 0.80 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6
SCHEMBL1721 0.79 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL2598 0.79 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL3417 0.78 AGTR1 (0.70) AGTR1LTB4R2
SCHEMBL8477345 0.78 AGTR1 (0.70) AGTR1LTB4R2
SCHEMBL1639 0.77 SLC6A4 (0.48) SLC6A4SLC6A3
SCHEMBL3054 0.75 LTB4R2 (0.49) AGTR1LTB4R2ABCB11GP6
SCHEMBL8475874 0.73 LTB4R2 (0.71) AGTR1LTB4R2

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