SCHEMBL8560643

SCHEMBL8560643

CCCc1nc(C(O)C(C)(C)C)c(C#N)n1Cc1ccc(-c2ccccc2C(=O)C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.48
AGTR2 P50052 2/20 0.48
PPARG P37231 4/20 0.47

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
SCHEMBL8563588 0.95 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8558245 0.92 PPARG (0.49) AGTR1AGTR2PPARG
SCHEMBL8560642 0.91 PPARG (0.49) AGTR1AGTR2PPARG
SCHEMBL27389556 0.90 PPARG (0.42) AGTR1AGTR2PPARG
SCHEMBL8560993 0.87 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8563587 0.86 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL27447619 0.86 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8558243 0.82 PPARG (0.51) PPARG
SCHEMBL7305319 0.81 PPARG (0.46) AGTR1AGTR2PPARG
SCHEMBL27389555 0.81 PPARG (0.43) AGTR1AGTR2PPARG

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