SCHEMBL7900886

SCHEMBL7900886

CCCCc1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(C(=O)O)n1CO

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.53
AGTR2 P50052 5/20 0.53

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
SCHEMBL7900765 0.95 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL7308377 0.88 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL7910721 0.86 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL10001517 0.83 AGTR1 (0.60) AGTR1AGTR2
Carboxylic Acid Metabolite SCHEMBL179 0.83 AGTR2 (0.72) AGTR1AGTR2
SCHEMBL7900660 0.83 AGTR2 (0.54) AGTR1AGTR2
Carboxylic Acid Metabolite SCHEMBL3475984 0.82 AGTR2 (0.71) AGTR1AGTR2
SCHEMBL13449210 0.82 AGTR1 (0.59) AGTR1AGTR2
Carboxylic Acid Metabolite SCHEMBL9468825 0.82 AGTR2 (0.71) AGTR1AGTR2
SCHEMBL6556676 0.82 AGTR1 (0.73) 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-0545912-B1 1-Biphenylmethylimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-04-25 EP claimed