SCHEMBL9704787

SCHEMBL9704787

CCCCc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)nc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.46
EDNRA P25101 1/20 0.44

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
SCHEMBL9704749 0.91 AGTR2 (0.50) AGTR2EDNRA
SCHEMBL9704334 0.87 AGTR1 (0.48) AGTR2
SCHEMBL9704078 0.87 AGTR1 (0.48) AGTR2
SCHEMBL9704783 0.87 AGTR2 (0.46) AGTR2
SCHEMBL9704659 0.86 AGTR1 (0.47) AGTR2
SCHEMBL9704258 0.85 AGTR1 (0.48) AGTR2
SCHEMBL9704688 0.84 AGTR1 (0.46) AGTR2
SCHEMBL9705172 0.84 AGTR1 (0.52) AGTR2
SCHEMBL9704768 0.84 AGTR1 (0.45) AGTR2
SCHEMBL9705144 0.82 AGTR1 (0.48) AGTR2

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