SCHEMBL2533

SCHEMBL2533

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.47
LTB4R2 Q9NPC1 10/20 0.43
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CNR2 P34972 1/20 0.39
ABCB11 O95342 1/20 0.39
GP6 Q9HCN6 1/20 0.39
AGTR2 P50052 1/20 0.38

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
SCHEMBL3100 0.90 AGTR1 (0.46) AGTR1LTB4R2HDAC3HDAC1HDAC2
SCHEMBL2510 0.90 AGTR1 (0.53) AGTR1LTB4R2HDAC3HDAC1HDAC2
SCHEMBL7271515 0.90 AGTR1 (0.53) AGTR1LTB4R2HDAC3HDAC1HDAC2
SCHEMBL3042 0.89 AGTR1 (0.54) AGTR1LTB4R2HDAC3HDAC1HDAC2
SCHEMBL3031 0.87 AGTR1 (0.45) AGTR1LTB4R2HDAC3HDAC1HDAC2
SCHEMBL2789 0.86 AGTR1 (0.55) AGTR1LTB4R2HDAC3HDAC1HDAC2
SCHEMBL2113 0.85 AGTR1 (0.46) AGTR1LTB4R2PTGDR2ABCB11GP6
SCHEMBL2118 0.83 AGTR1 (0.55) AGTR1LTB4R2HDAC3HDAC1HDAC2
SCHEMBL2530 0.82 AGTR1 (0.44) AGTR1LTB4R2PTGDR2ABCB11GP6
SCHEMBL2673 0.81 AGTR1 (0.58) AGTR1LTB4R2HDAC3HDAC1HDAC2

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