SCHEMBL9706631

SCHEMBL9706631

CCc1n[nH]c(COCc2ccccc2)c1Cc1ccc2oc(-c3ccccc3C(=O)O)c(Br)c2c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.39
PDE4D Q08499 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL9467207 0.91 AGTR1 (0.35) AGTR1
SCHEMBL9706636 0.90 PARP1 (0.33)
SCHEMBL9467215 0.81 PARP1 (0.30)
SCHEMBL9468065 0.76 AGTR1 (0.43) AGTR1
SCHEMBL9706701 0.75 PTGDR2 (0.41) AGTR1
SCHEMBL9468038 0.75 PTGDR2 (0.36) AGTR1
SCHEMBL9468173 0.74 AGTR1 (0.40) AGTR1
SCHEMBL9706628 0.74 AGTR1 (0.38) AGTR1
SCHEMBL9467181 0.70 AGTR1 (0.39) AGTR1
SCHEMBL9468524 0.68 AGTR1 (0.42) AGTR1PDE10A

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