SCHEMBL8561679

SCHEMBL8561679

C=C(C)c1nc(CCC)n(Cc2ccc(-c3ccccc3C(=O)C(=O)OC)cc2)c1C(=O)OCC

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.52
AGTR2 P50052 3/20 0.52

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
SCHEMBL8561674 0.92 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8565793 0.87 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8562784 0.86 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8562435 0.86 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL8559294 0.85 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8568437 0.82 PPARG (0.57)
SCHEMBL8563803 0.81 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8562781 0.79 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7299126 0.79 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL870 0.79 PPARG (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603001-B1 Biphenyl derivatives, their preparation and their use for the treatment of hypertension and cardiac disease SANKYO CO (JP) 1998-08-26 EP disclosed
US-5459148-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1995-10-17 US disclosed
EP-0603001-A1 Biphenyl derivatives, their preparation and their use for the treatment of hypertension and cardiac disease SANKYO COMPANY LIMITED (JP) 1994-06-22 EP disclosed