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SCHEMBL2839

SCHEMBL2839

CCCCC(=O)N(Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1)CC1(C(=O)OCC)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 11/20 0.41
▸ LTB4R2 Q9NPC1 6/20 0.38
▸ ABCB11 O95342 1/20 0.35
▸ GP6 Q9HCN6 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ AGTR2 P50052 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL682687 0.91 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2864 0.91 AGTR1 (0.47) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8486732 0.88 AGTR1 (0.41) AGTR1LTB4R2ABCB11GP6PKM
SCHEMBL2967 0.87 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3104 0.85 AGTR1 (0.50) AGTR1LTB4R2ABCB11GP6
Abitesartan SCHEMBL2527 0.84 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6
SCHEMBL8488672 0.84 PTGDR2 (0.35) AGTR1LTB4R2PKMPTGDR2AGTR2
SCHEMBL8483906 0.83 AGTR1 (0.34) AGTR1LTB4R2PKMPTGDR2AGTR2
SCHEMBL8483446 0.82 AGTR1 (0.43) AGTR1LTB4R2ABCB11GP6PKM
SCHEMBL8910748 0.82 AGTR1 (0.36) AGTR1LTB4R2PKMPTGDR2AGTR2

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