SCHEMBL8561674

SCHEMBL8561674

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

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.54
AGTR2 P50052 3/20 0.54
PPARG P37231 1/20 0.50

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
SCHEMBL8561679 0.92 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8562781 0.87 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8565790 0.86 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8562433 0.86 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL8568437 0.84 PPARG (0.57) PPARG
SCHEMBL8559291 0.84 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL7299126 0.81 AGTR1 (0.59) AGTR1AGTR2PPARG
SCHEMBL8563799 0.81 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL8565793 0.79 AGTR1 (0.51) AGTR1AGTR2
Hydrochloric Acid SCHEMBL8568424 0.78 AGTR1 (0.58) 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 2 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
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