SCHEMBL8348331

SCHEMBL8348331

CCC(C)c1nc(OC)c(C=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)N(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAS1 P04201 1/20 0.46
AGTR2 P50052 6/20 0.45
AGTR1 P30556 4/20 0.45

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
SCHEMBL8348333 0.89 AGTR2 (0.48) AGTR2AGTR1
SCHEMBL8550486 0.71 AGTR2 (0.56) AGTR2
SCHEMBL7610956 0.71 MAS1 (0.52) MAS1AGTR2
SCHEMBL9684086 0.70 SLC6A4 (0.46) AGTR2AGTR1
SCHEMBL7611026 0.68 MAS1 (0.52) MAS1AGTR2AGTR1
SCHEMBL7612134 0.67 AGTR2 (0.47) AGTR2AGTR1
SCHEMBL8353009 0.66 AGTR2 (0.79) AGTR2AGTR1
SCHEMBL8348414 0.66 AGTR2 (0.72) AGTR2AGTR1
SCHEMBL8348138 0.66 AGTR2 (0.81) AGTR2AGTR1
SCHEMBL8345874 0.65 AGTR1 (0.61) 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