SCHEMBL8661143

SCHEMBL8661143

Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(S)cn2)cc1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.84
EDNRA P25101 2/20 0.75

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
SCHEMBL795650 0.91 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8801607 0.91 EDNRB (0.84) EDNRBEDNRA
SCHEMBL8801251 0.91 EDNRB (0.84) EDNRBEDNRA
SCHEMBL8659179 0.91 EDNRB (0.84) EDNRBEDNRA
SCHEMBL8662305 0.91 EDNRB (0.84) EDNRBEDNRA
SCHEMBL8662343 0.90 EDNRB (0.82) EDNRBEDNRA
SCHEMBL8659387 0.90 EDNRB (0.81) EDNRBEDNRA
SCHEMBL8801730 0.90 EDNRB (0.81) EDNRBEDNRA
SCHEMBL8659383 0.90 EDNRB (0.81) EDNRBEDNRA
SCHEMBL8659093 0.90 EDNRB (0.81) 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 2 patents. 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
US-5589478-A ENDOTHELIN ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1996-12-31 US disclosed