SCHEMBL9704366

SCHEMBL9704366

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.62
AGTR1 P30556 3/20 0.62
AGTR2 P50052 3/20 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
SCHEMBL9704398 0.97 AGTR1 (0.64) PPARGAGTR1AGTR2
SCHEMBL9704672 0.95 AGTR1 (0.64) PPARGAGTR1AGTR2
SCHEMBL9704421 0.94 AGTR1 (0.61) PPARGAGTR1AGTR2
SCHEMBL9705956 0.93 AGTR1 (0.63) PPARGAGTR1AGTR2
SCHEMBL9704856 0.89 AGTR1 (0.62) PPARGAGTR1AGTR2
SCHEMBL9704369 0.88 PPARG (0.47) PPARGAGTR1AGTR2
SCHEMBL9704108 0.87 AGTR1 (0.69) PPARGAGTR1AGTR2
SCHEMBL9705249 0.87 AGTR1 (0.68) PPARGAGTR1AGTR2
SCHEMBL9704739 0.86 AGTR1 (0.67) PPARGAGTR1AGTR2
SCHEMBL9705281 0.85 AGTR1 (0.66) 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