SCHEMBL2555

SCHEMBL2555

CCOC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)CC(C)(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.40
LTB4R2 Q9NPC1 5/20 0.37
AGTR2 P50052 7/20 0.37
ABCB11 O95342 1/20 0.35
GP6 Q9HCN6 1/20 0.35

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
SCHEMBL2674 0.93 AGTR1 (0.38) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL2189 0.86 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL7271922 0.82 AGTR1 (0.49) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL8487163 0.82 AGTR1 (0.35) AGTR1LTB4R2AGTR2
SCHEMBL9429192 0.81 AGTR1 (0.45) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL9430059 0.81 LTB4R2 (0.48) AGTR1LTB4R2AGTR2
SCHEMBL9429201 0.79 LTB4R2 (0.50) AGTR1LTB4R2AGTR2
SCHEMBL8487512 0.78 AGTR1 (0.46) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL2796 0.78 ALDH1A1 (0.54) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL2795 0.78 ALDH1A1 (0.54) AGTR1LTB4R2AGTR2ABCB11GP6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP claimed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP claimed
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