SCHEMBL2530

SCHEMBL2530

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.44
LTB4R2 Q9NPC1 8/20 0.40
ABCB11 O95342 1/20 0.36
GP6 Q9HCN6 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
AGTR2 P50052 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL7271922 0.91 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2859 0.85 LTB4R2 (0.33) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3100 0.83 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL2189 0.83 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL2533 0.82 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL2230 0.82 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2113 0.81 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL2839 0.81 AGTR1 (0.41) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8487512 0.80 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL2674 0.80 AGTR1 (0.38) AGTR1LTB4R2ABCB11GP6AGTR2

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