SCHEMBL3054

SCHEMBL3054

CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)OC(C)[Si](C)(C)C)cc1)C(CO)Cc1c[nH]cn1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 13/20 0.49
AGTR1 P30556 9/20 0.45
ABCB11 O95342 1/20 0.41
GP6 Q9HCN6 1/20 0.41

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
SCHEMBL2786 0.87 LTB4R2 (0.63) LTB4R2AGTR1
SCHEMBL2785 0.87 LTB4R2 (0.63) LTB4R2AGTR1
SCHEMBL3055 0.87 LTB4R2 (0.47) LTB4R2AGTR1ABCB11GP6
SCHEMBL2721 0.77 BDKRB1 (0.39)
SCHEMBL2970 0.77 BDKRB1 (0.39)
SCHEMBL2746 0.75 AGTR1 (0.53) LTB4R2AGTR1ABCB11GP6
SCHEMBL2394 0.73 LTB4R2 (0.75) LTB4R2AGTR1
SCHEMBL2395 0.73 LTB4R2 (0.75) LTB4R2AGTR1
SCHEMBL8475874 0.70 LTB4R2 (0.71) LTB4R2AGTR1
SCHEMBL2126 0.69 SCN1A (0.48) LTB4R2

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