SCHEMBL2181

SCHEMBL2181

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.47
LTB4R2 Q9NPC1 5/20 0.46
MME P08473 1/20 0.42
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
ABCB11 O95342 1/20 0.39
GP6 Q9HCN6 1/20 0.39
PTPN1 P18031 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ESR2 Q92731 1/20 0.38
MYC P01106 1/20 0.38
WDR5 P61964 1/20 0.38
PPARG P37231 1/20 0.37

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 0.94 LTB4R2 (0.54) AGTR1LTB4R2MMEFFAR1AKR1B1
SCHEMBL2629 0.94 LTB4R2 (0.54) AGTR1LTB4R2MMEFFAR1AKR1B1
SCHEMBL1970 0.93 LTB4R2 (0.51) AGTR1LTB4R2MMEFFAR1AKR1B1
SCHEMBL2033 0.84 AGTR1 (0.66) AGTR1LTB4R2MMEFFAR1AKR1B1
SCHEMBL29561367 0.84 AGTR1 (0.66) AGTR1LTB4R2MMEFFAR1AKR1B1
SCHEMBL2032 0.84 AGTR1 (0.66) AGTR1LTB4R2MMEFFAR1AKR1B1
SCHEMBL1808771 0.84 AGTR1 (0.66) AGTR1LTB4R2MMEFFAR1AKR1B1
SCHEMBL2319 0.83 LTB4R2 (0.51) AGTR1LTB4R2MMEFFAR1AKR1B1
SCHEMBL2978 0.83 AGTR1 (0.57) AGTR1LTB4R2MMEFFAR1AKR1B1
SCHEMBL2979 0.83 AGTR1 (0.57) AGTR1LTB4R2MMEFFAR1AKR1B1

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