SCHEMBL7009422

SCHEMBL7009422

O=C(O)Oc1cccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nc(=O)o[nH]4)cc3)c12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.46
AGTR2 P50052 4/20 0.46
PPARG P37231 1/20 0.41
GRM2 Q14416 1/20 0.39

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
SCHEMBL3804684 0.88 PPARG (0.54) AGTR1PPARG
SCHEMBL2844345 0.87 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL7011057 0.85 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL844779 0.84 AGTR2 (0.53) AGTR1AGTR2PPARG
SCHEMBL7015930 0.78 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL2132264 0.78 AGTR2 (0.63) AGTR1AGTR2
SCHEMBL684047 0.75 PPARG (0.54) AGTR1AGTR2PPARG
SCHEMBL12857056 0.74
SCHEMBL7015932 0.74 ABCB11 (0.56) AGTR1AGTR2PPARG
SCHEMBL7016811 0.73 AGTR1 (0.47) 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
EP-0520423-B1 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-14 EP claimed