SCHEMBL9616627

SCHEMBL9616627

CCCCC(=NC#N)N(CC(=O)OC)Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.32

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
SCHEMBL9616626 0.81 AGTR1 (0.38) AGTR1
SCHEMBL9616625 0.81 AGTR1 (0.38) AGTR1
SCHEMBL9467980 0.76 AGTR1 (0.36) AGTR1
SCHEMBL9468494 0.73 AGTR1 (0.36) AGTR1
SCHEMBL9616359 0.73 AGTR1 (0.36) AGTR1
SCHEMBL9309675 0.72 AGTR1 (0.40) AGTR1
SCHEMBL9860204 0.71 AGTR1 (0.39) AGTR1
SCHEMBL9468600 0.71 AGTR1 (0.39) AGTR1
SCHEMBL9694922 0.71 AGTR1 (0.39) AGTR1
SCHEMBL9309861 0.70 AGTR1 (0.46) AGTR1

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-0514192-A1 Antihypertensive benzofuran derivatives, substituted by varied N-pyrimidinyl- or N-imidazolyl-methyl groups GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed