SCHEMBL8348138

SCHEMBL8348138

CCC(C)c1nc(SC)c(C(=O)O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)NCc2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 11/20 0.81
AGTR1 P30556 7/20 0.81

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
SCHEMBL8347248 0.95 AGTR2 (0.74) AGTR2AGTR1
SCHEMBL8348414 0.94 AGTR2 (0.72) AGTR2AGTR1
SCHEMBL8687260 0.92 AGTR2 (0.69) AGTR2AGTR1
SCHEMBL8347481 0.92 AGTR2 (0.68) AGTR2AGTR1
SCHEMBL8353723 0.90 AGTR1 (0.76) AGTR2AGTR1
SCHEMBL8347071 0.90 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL8353009 0.89 AGTR2 (0.79) AGTR2AGTR1
SCHEMBL8351243 0.89 AGTR2 (0.77) AGTR2AGTR1
SCHEMBL8689329 0.89 AGTR2 (0.65) AGTR2AGTR1
SCHEMBL8348099 0.88 AGTR2 (0.83) AGTR2AGTR1

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