SCHEMBL8351909

SCHEMBL8351909

CCOC(=O)C(C)(O)c1c(SC)nc(C)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=CN(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 11/20 0.56

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
SCHEMBL8345736 0.85 AGTR2 (0.61) AGTR2
SCHEMBL8353547 0.85 AGTR2 (0.42) AGTR2
SCHEMBL8347253 0.83 AGTR2 (0.48) AGTR2
SCHEMBL8353768 0.79 AGTR2 (0.84) AGTR2
SCHEMBL8345753 0.79 AGTR2 (0.72) AGTR2
SCHEMBL8976542 0.78 AGTR1 (0.57) AGTR2
SCHEMBL8353008 0.78 AGTR2 (0.53) AGTR2
SCHEMBL8976548 0.78 AGTR1 (0.57) AGTR2
SCHEMBL8353003 0.74 AGTR1 (0.53) AGTR2
SCHEMBL8346738 0.72 AGTR1 (0.42) 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
US-5977155-A CARDIOVASCULAR, KIDNEYS HOECHST MARION ROUSSEL (FR) 1999-11-02 US disclosed