SCHEMBL8907782

SCHEMBL8907782

CCCc1cc(C(=O)OC)ccc1CC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.63
EDNRB P24530 10/20 0.63

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
SCHEMBL8907237 0.92 EDNRA (0.71) EDNRAEDNRB
SCHEMBL8906644 0.87 EDNRA (0.57) EDNRAEDNRB
SCHEMBL8906175 0.86 EDNRA (0.59) EDNRAEDNRB
SCHEMBL8952158 0.85 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7329183 0.85 EDNRA (0.86) EDNRAEDNRB
SCHEMBL8709959 0.83 EDNRA (0.43) EDNRAEDNRB
SCHEMBL8906905 0.82 EDNRA (0.52) EDNRAEDNRB
SCHEMBL8952066 0.81 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7338911 0.79 EDNRA (0.77) EDNRAEDNRB
SCHEMBL7338403 0.79 EDNRA (0.72) 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 3 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
WO-1995003295-A1 ENDOTHELIN ANTAGONISTS MERCK & CO., INC. (US) 1995-02-02 WO disclosed