SCHEMBL9706707

SCHEMBL9706707

CCc1nn(CC)c(CO)c1Cc1ccc2c(-c3ccccc3C(=O)O)oc(Br)c2c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.42
AGTR1 P30556 1/20 0.35
AGTR2 P50052 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
SCHEMBL9468179 0.89 PTGDR2 (0.37) PTGDR2
SCHEMBL9706701 0.89 PTGDR2 (0.41) PTGDR2AGTR1
SCHEMBL9468567 0.89 PTGDR2 (0.37) PTGDR2
SCHEMBL9706632 0.87 PTGDR2 (0.37) PTGDR2AGTR1AGTR2
SCHEMBL9468043 0.81 PTGDR2 (0.36) PTGDR2
SCHEMBL9468065 0.80 AGTR1 (0.43) PTGDR2AGTR1
SCHEMBL9468626 0.79 PTGDR2 (0.33) PTGDR2
SCHEMBL9468523 0.77 PTGDR2 (0.33) PTGDR2
SCHEMBL9706628 0.77 AGTR1 (0.38) PTGDR2AGTR1
SCHEMBL9706636 0.74 PARP1 (0.33)

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