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SCHEMBL2859

SCHEMBL2859

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LTB4R2 Q9NPC1 3/20 0.33
▸ AGTR1 P30556 7/20 0.32
▸ AGTR2 P50052 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ GP6 Q9HCN6 1/20 0.31
▸ TP53 P04637 1/20 0.30

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
SCHEMBL7280315 0.91 LTB4R2 (0.37) LTB4R2AGTR1AGTR2CNR2ABCB11
SCHEMBL2530 0.85 AGTR1 (0.44) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL2568 0.83 AGTR1 (0.39) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL7271922 0.76 AGTR1 (0.49) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL2674 0.73 AGTR1 (0.38) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL2291 0.73 LTB4R2 (0.35) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL2874 0.72 AGTR1 (0.52) LTB4R2AGTR1ABCB11GP6
SCHEMBL2875 0.72 AGTR1 (0.52) LTB4R2AGTR1ABCB11GP6
SCHEMBL3100 0.71 AGTR1 (0.46) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL7279125 0.70 AGTR1 (0.39) LTB4R2AGTR1AGTR2ABCB11GP6

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