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SCHEMBL2551

SCHEMBL2551

CCCC(=O)N(Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1)[C@@H](C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 12/20 0.54
▸ LTB4R2 Q9NPC1 4/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ GP6 Q9HCN6 1/20 0.44
▸ FNTA P49354 3/20 0.34
▸ FNTB P49356 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CD274 Q9NZQ7 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
SCHEMBL2552 1.00 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6FNTA
SCHEMBL7271536 0.90 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6MEN1
SCHEMBL7271546 0.90 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6MEN1
SCHEMBL8487083 0.87 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6
SCHEMBL2874 0.86 AGTR1 (0.52) AGTR1LTB4R2ABCB11GP6
SCHEMBL2875 0.86 AGTR1 (0.52) AGTR1LTB4R2ABCB11GP6
SCHEMBL389245 0.85 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL1322442 0.85 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL27898249 0.85 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
SCHEMBL29846453 0.85 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6

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