SCHEMBL9704983

SCHEMBL9704983

CCCC(=O)Nc1ccc2nc(CCC)n(Cc3ccc(-c4ccccc4OC(=O)O)cc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.48
AGTR2 P50052 2/20 0.48
PPARG P37231 7/20 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
SCHEMBL9704759 0.94 PPARG (0.45) AGTR1AGTR2PPARG
SCHEMBL9705132 0.93 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9704654 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9704411 0.90 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9705289 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9704005 0.87 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL9704980 0.87 PPARG (0.64) AGTR1AGTR2PPARG
SCHEMBL9704305 0.87 PPARG (0.45) AGTR1AGTR2PPARG
SCHEMBL9704773 0.87 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9705252 0.86 AGTR1 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed