SCHEMBL2113

SCHEMBL2113

CCCCC(=O)N(Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1)CC(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.46
LTB4R2 Q9NPC1 8/20 0.44
ABCB11 O95342 1/20 0.44
GP6 Q9HCN6 1/20 0.44
PTGDR2 Q9Y5Y4 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
SCHEMBL7270083 0.91 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL2533 0.85 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL3100 0.84 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL389245 0.84 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL1322442 0.84 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL29846453 0.84 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL27898249 0.84 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL3187 0.83 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL3188 0.83 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL3031 0.83 AGTR1 (0.45) AGTR1LTB4R2ABCB11GP6PTGDR2

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

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