SCHEMBL9704980

SCHEMBL9704980

CCCC(=O)Nc1ccc2nc(CCC)n(Cc3ccc(-c4ccccc4C(=O)O)cc3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.64
AGTR1 P30556 1/20 0.62
AGTR2 P50052 1/20 0.62

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
SCHEMBL9704752 0.93 PPARG (0.60) PPARGAGTR1AGTR2
SCHEMBL9705128 0.92 AGTR1 (0.63) PPARGAGTR1AGTR2
SCHEMBL9704649 0.91 AGTR1 (0.65) PPARGAGTR1AGTR2
SCHEMBL9705281 0.89 AGTR1 (0.66) PPARGAGTR1AGTR2
SCHEMBL9704983 0.87 AGTR1 (0.48) PPARGAGTR1AGTR2
SCHEMBL9703997 0.86 PPARG (0.54) PPARGAGTR1AGTR2
SCHEMBL9704301 0.86 PPARG (0.60) PPARG
SCHEMBL9704764 0.86 AGTR1 (0.67) PPARGAGTR1AGTR2
SCHEMBL9705249 0.85 AGTR1 (0.68) PPARGAGTR1AGTR2
SCHEMBL9704108 0.84 AGTR1 (0.69) PPARGAGTR1AGTR2

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