SCHEMBL9302576

SCHEMBL9302576

CCOC(=O)OC1(C)N=NC(c2ccccc2-c2ccc(Cn3c(SCC)nc4c(C)sc(C(=O)OC)c43)cc2)=N1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.35
TP53 P04637 1/20 0.34
AGTR2 P50052 2/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL7018778 0.82 AGTR1 (0.36) AGTR1TP53AGTR2RXFP1
SCHEMBL7018118 0.79 TP53 (0.37) AGTR1TP53RXFP1
SCHEMBL9032306 0.79 PPARG (0.42) AGTR1AGTR2
SCHEMBL7016159 0.79 AGTR1 (0.40) AGTR1TP53AGTR2
SCHEMBL9032973 0.78 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7016402 0.78 AGTR1 (0.39) AGTR1TP53
SCHEMBL7012387 0.78 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL7016142 0.78 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL683666 0.76 PPARG (0.50) AGTR1AGTR2
SCHEMBL7012900 0.76 AGTR1 (0.38) AGTR1AGTR2

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-5354766-A 2-Ethoxy-1-((2'(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl) biphenyl-4-yl)methyl)benzimidazole-7-carboxylic acid; hypotensive agents; CNS activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed