SCHEMBL2629

SCHEMBL2629

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 11/20 0.54
AGTR1 P30556 9/20 0.54
ABCB11 O95342 1/20 0.45
GP6 Q9HCN6 1/20 0.45
MME P08473 1/20 0.41
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 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
SCHEMBL2628 1.00 LTB4R2 (0.54) LTB4R2AGTR1ABCB11GP6MME
SCHEMBL1970 0.97 LTB4R2 (0.51) LTB4R2AGTR1ABCB11GP6MME
SCHEMBL2181 0.94 AGTR1 (0.47) LTB4R2AGTR1ABCB11GP6MME
SCHEMBL29561367 0.90 AGTR1 (0.66) LTB4R2AGTR1ABCB11GP6MME
SCHEMBL2032 0.90 AGTR1 (0.66) LTB4R2AGTR1ABCB11GP6MME
SCHEMBL1808771 0.90 AGTR1 (0.66) LTB4R2AGTR1ABCB11GP6MME
SCHEMBL2033 0.90 AGTR1 (0.66) LTB4R2AGTR1ABCB11GP6MME
SCHEMBL2319 0.89 LTB4R2 (0.51) LTB4R2AGTR1ABCB11GP6MME
SCHEMBL7272306 0.89 AGTR1 (0.63) LTB4R2AGTR1ABCB11GP6
SCHEMBL2979 0.89 AGTR1 (0.57) LTB4R2AGTR1ABCB11GP6MME

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