SCHEMBL8906175

SCHEMBL8906175

COC(=O)c1ccc(CC(C(=O)NS(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.59
EDNRB P24530 11/20 0.55

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
SCHEMBL8952158 0.91 EDNRA (0.53) EDNRAEDNRB
SCHEMBL9272346 0.90 EDNRA (0.60) EDNRAEDNRB
Potassium Ion SCHEMBL8907336 0.90 EDNRA (0.53) EDNRAEDNRB
Potassium SCHEMBL9272349 0.90 EDNRA (0.60) EDNRAEDNRB
Potassium SCHEMBL9263403 0.89 EDNRB (0.57) EDNRAEDNRB
SCHEMBL9263398 0.89 EDNRB (0.57) EDNRAEDNRB
SCHEMBL9267320 0.88 EDNRB (0.54) EDNRAEDNRB
Potassium SCHEMBL9267325 0.88 EDNRB (0.54) EDNRAEDNRB
SCHEMBL8906488 0.88 EDNRA (0.57) EDNRAEDNRB
SCHEMBL8907782 0.86 EDNRA (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995003295-A1 ENDOTHELIN ANTAGONISTS MERCK & CO., INC. (US) 1995-02-02 WO claimed
US-5686478-A Endothelin antagonists MERCK & CO. INC. (US) 1997-11-11 US disclosed