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Sugi Predict / Compounds / SCHEMBL9616359

SCHEMBL9616359

SCHEMBL9616359

CCCCc1nc(NC)c(C(=O)OC)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 7/20 0.36
▸ AGTR2 P50052 5/20 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
SCHEMBL9309675 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9308308 0.87 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9694922 0.87 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9310878 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9309034 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9309931 0.87 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9859673 0.86 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9309746 0.86 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9309861 0.86 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9308994 0.86 AGTR1 (0.40) 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-0514192-A1 Antihypertensive benzofuran derivatives, substituted by varied N-pyrimidinyl- or N-imidazolyl-methyl groups GLAXO GROUP LIMITED (GB) 1992-11-19 — — EP disclosed