SCHEMBL8350329

SCHEMBL8350329

CCC(C)c1nc(SC)c(C(C)(O)C(=O)O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 14/20 0.60
AGTR1 P30556 1/20 0.49

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
SCHEMBL8345874 0.88 AGTR1 (0.61) AGTR2AGTR1
SCHEMBL6545647 0.86 AGTR2 (0.78) AGTR2AGTR1
SCHEMBL8352503 0.86 AGTR2 (0.77) AGTR2AGTR1
SCHEMBL8352518 0.85 AGTR2 (0.57) AGTR2AGTR1
SCHEMBL8352513 0.82 AGTR2 (0.78) AGTR2AGTR1
SCHEMBL8345930 0.81 AGTR1 (0.55) AGTR2AGTR1
SCHEMBL8347066 0.80 AGTR1 (0.61) AGTR2AGTR1
SCHEMBL8352504 0.80 AGTR2 (0.77) AGTR2AGTR1
SCHEMBL8346163 0.79 AGTR1 (0.52) AGTR2AGTR1
SCHEMBL7022844 0.77 AGTR1 (0.76) 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