SCHEMBL9706701

SCHEMBL9706701

CCc1nn(CC)c(CO)c1Cc1ccc2oc(-c3ccccc3C(=O)O)c(Br)c2c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
AGTR1 P30556 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
SCHEMBL9468065 0.92 AGTR1 (0.43) PTGDR2AGTR1
SCHEMBL9468173 0.89 AGTR1 (0.40) AGTR1
SCHEMBL9706707 0.89 PTGDR2 (0.42) PTGDR2AGTR1
SCHEMBL9468519 0.89 PTGDR2 (0.36) PTGDR2AGTR1
SCHEMBL9706628 0.88 AGTR1 (0.38) PTGDR2AGTR1
SCHEMBL9467181 0.83 AGTR1 (0.39) AGTR1
SCHEMBL9468038 0.81 PTGDR2 (0.36) PTGDR2AGTR1
SCHEMBL9468571 0.79
SCHEMBL9468567 0.79 PTGDR2 (0.37) PTGDR2
SCHEMBL9468179 0.78 PTGDR2 (0.37) PTGDR2

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-0514217-A1 Antihypertensive benzofuran derivatives carrying 4-pyrazolylmethyl substituents GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed