SCHEMBL9303312

SCHEMBL9303312

CCCCc1nc2c(Cc3ccc(-c4ccccc4NC(=O)OC(C)(C)C)cc3)ccc(C(=O)OC)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.38
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
BDKRB1 P46663 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 2/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL9302701 0.89 BRS3 (0.45) BRS3AGTR1AGTR2BDKRB1ACHE
SCHEMBL9302908 0.83 AGTR1 (0.37) BRS3AGTR1AGTR2BDKRB1
SCHEMBL9304405 0.81 AGTR1 (0.42) BRS3AGTR1AGTR2BDKRB1ACHE
SCHEMBL9302495 0.79 AGTR1 (0.37) BRS3AGTR1AGTR2
SCHEMBL9302784 0.74 ALDH1A1 (0.35) BRS3AGTR1AGTR2TLR7
SCHEMBL9303418 0.73 AGTR1 (0.34) AGTR1AGTR2ACHE
SCHEMBL9044849 0.72 BRS3 (0.45) BRS3AGTR1AGTR2BDKRB1ACHE
SCHEMBL8357009 0.72 TLR7 (0.39) AGTR1AGTR2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL7019058 0.71 AGTR2 (0.51) AGTR1AGTR2
SCHEMBL9303236 0.70 BRS3 (0.35) BRS3AGTR1AGTR2

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