SCHEMBL8660672

SCHEMBL8660672

Cc1ccc(-c2c(NS(=O)(=O)c3ccccc3C(C)(C)COc3ncc(Br)cn3)ncnc2OCCOc2ncc(Br)cn2)cc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.69
EDNRA P25101 5/20 0.68

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
SCHEMBL8660670 0.87 EDNRB (0.70) EDNRBEDNRA
SCHEMBL8804417 0.86 EDNRB (0.86) EDNRBEDNRA
SCHEMBL7487018 0.85 EDNRB (0.68) EDNRBEDNRA
SCHEMBL8802029 0.82 EDNRB (0.84) EDNRBEDNRA
SCHEMBL795650 0.82 EDNRB (1.00) EDNRBEDNRA
SCHEMBL5097931 0.82 EDNRB (0.72) EDNRBEDNRA
SCHEMBL7483645 0.81 EDNRB (0.64) EDNRBEDNRA
SCHEMBL5497129 0.81 EDNRB (0.76) EDNRBEDNRA
SCHEMBL892538 0.81 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7482740 0.80 EDNRB (0.73) EDNRBEDNRA

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-5728706-A ENDOTHELIN ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1998-03-17 US disclosed