SCHEMBL2674

SCHEMBL2674

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.38
AGTR2 P50052 5/20 0.36
LTB4R2 Q9NPC1 4/20 0.35
ABCB11 O95342 1/20 0.33
GP6 Q9HCN6 1/20 0.33

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
SCHEMBL2555 0.93 AGTR1 (0.40) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL7271922 0.89 AGTR1 (0.49) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL7280315 0.82 LTB4R2 (0.37) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL2530 0.80 AGTR1 (0.44) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL2230 0.80 AGTR1 (0.51) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL2189 0.79 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL8487163 0.78 AGTR1 (0.35) AGTR1AGTR2LTB4R2
SCHEMBL9429450 0.77 AGTR1 (0.42) AGTR1AGTR2LTB4R2
SCHEMBL2570 0.77 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6
SCHEMBL8472135 0.76 LTB4R2 (0.39) AGTR1AGTR2LTB4R2ABCB11GP6

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 3 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
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed