SCHEMBL8906905

SCHEMBL8906905

CCCc1cc(CO[Si](C)(C)C(C)(C)C)ccc1CC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.52
EDNRB P24530 8/20 0.52
AGTR1 P30556 2/20 0.47

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
SCHEMBL8906644 0.87 EDNRA (0.57) EDNRAEDNRBAGTR1
SCHEMBL7333290 0.86 EDNRA (0.71) EDNRAEDNRBAGTR1
SCHEMBL8907782 0.82 EDNRA (0.63) EDNRAEDNRB
SCHEMBL8907237 0.82 EDNRA (0.71) EDNRAEDNRB
SCHEMBL8952066 0.82 EDNRA (0.51) EDNRAEDNRBAGTR1
SCHEMBL9263398 0.78 EDNRB (0.57) EDNRAEDNRB
Potassium SCHEMBL9263403 0.78 EDNRB (0.57) EDNRAEDNRB
SCHEMBL8952067 0.77 EDNRA (0.54) EDNRAEDNRB
Potassium SCHEMBL8952100 0.76 KMT2A (0.52) EDNRAEDNRB
SCHEMBL8952097 0.76 KMT2A (0.52) 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
US-5686478-A Endothelin antagonists MERCK & CO. INC. (US) 1997-11-11 US disclosed