SCHEMBL2658

SCHEMBL2658

CCCCC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)C(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 12/20 0.51
FFAR1 O14842 1/20 0.45
AKR1B1 P15121 1/20 0.45
AGTR1 P30556 8/20 0.44
ABCB11 O95342 1/20 0.43
GP6 Q9HCN6 1/20 0.43

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
SCHEMBL2657 1.00 LTB4R2 (0.51) LTB4R2FFAR1AKR1B1AGTR1ABCB11
SCHEMBL29378073 0.88 AGTR1 (0.54) LTB4R2FFAR1AKR1B1AGTR1ABCB11
SCHEMBL2140 0.88 AGTR1 (0.54) LTB4R2FFAR1AKR1B1AGTR1ABCB11
SCHEMBL1809623 0.88 AGTR1 (0.54) LTB4R2FFAR1AKR1B1AGTR1ABCB11
SCHEMBL7272306 0.82 AGTR1 (0.63) LTB4R2AGTR1ABCB11GP6
SCHEMBL2628 0.81 LTB4R2 (0.54) LTB4R2FFAR1AKR1B1AGTR1ABCB11
SCHEMBL2629 0.81 LTB4R2 (0.54) LTB4R2FFAR1AKR1B1AGTR1ABCB11
SCHEMBL2319 0.80 LTB4R2 (0.51) LTB4R2FFAR1AKR1B1AGTR1ABCB11
SCHEMBL1810051 0.80 AGTR1 (0.64) LTB4R2AGTR1ABCB11GP6
SCHEMBL1810055 0.80 AGTR1 (0.64) LTB4R2AGTR1ABCB11GP6

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