SCHEMBL8345932

SCHEMBL8345932

CCCCc1nc(SC)c(C(=O)O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCc2ccsc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.71
AGTR2 P50052 7/20 0.71

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
SCHEMBL8345878 0.92 AGTR1 (0.78) AGTR1AGTR2
SCHEMBL8347069 0.89 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL7022844 0.88 AGTR1 (0.76) AGTR1AGTR2
SCHEMBL8345930 0.87 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL8969857 0.86 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL8555500 0.86 AGTR1 (0.75) AGTR1AGTR2
SCHEMBL8346154 0.86 AGTR1 (0.75) AGTR1AGTR2
SCHEMBL8902811 0.85 AGTR1 (0.77) AGTR1AGTR2
SCHEMBL7026148 0.84 AGTR1 (0.76) AGTR1AGTR2
SCHEMBL8347426 0.84 AGTR1 (0.79) AGTR1AGTR2

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