SCHEMBL8833121

SCHEMBL8833121

CCCC(=O)N=c1scc(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.41
AGTR2 P50052 7/20 0.41

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
SCHEMBL8834104 0.94 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8833864 0.90 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8833969 0.90 RAB9A (0.42) AGTR1AGTR2
SCHEMBL8833340 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8833914 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8833764 0.84 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8833235 0.83 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8833661 0.79
SCHEMBL9427600 0.79 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8833882 0.78 RAB9A (0.40)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654322-A HYPOTENSIVE AGENTS, CEREBRAL APOPLEXY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed
EP-0656355-A1 BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-06-07 EP disclosed