SCHEMBL6584588

SCHEMBL6584588

Cn1cc(C(C(=O)NS(=O)(=O)c2ccc(CC(=O)O)cc2)c2ccc3c(c2)OCO3)c2ccc(Cl)cc21

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.81
EDNRB P24530 15/20 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
SCHEMBL7678329 0.91 EDNRA (0.76) EDNRAEDNRB
SCHEMBL6588182 0.90 EDNRA (0.69) EDNRAEDNRB
SCHEMBL6583727 0.89 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6586739 0.85 EDNRA (0.83) EDNRAEDNRB
SCHEMBL7681190 0.84 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7687246 0.83 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6583937 0.82 EDNRA (0.81) EDNRAEDNRB
SCHEMBL6587025 0.80 EDNRA (0.83) EDNRAEDNRB
SCHEMBL6584301 0.80 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6585072 0.80 EDNRA (0.79) EDNRAEDNRB

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
EP-0901470-B1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER (US) 2004-03-31 EP disclosed