SCHEMBL7223045

SCHEMBL7223045

CC(C)(C)c1ccc(S(=O)(=O)Nc2[nH]nc(COCCOc3ncc(Br)cn3)c2-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.47
EDNRA P25101 2/20 0.40

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
SCHEMBL6293249 0.82 EDNRB (0.44) EDNRB
SCHEMBL7205015 0.80 EDNRB (0.54) EDNRBEDNRA
SCHEMBL6288973 0.79 EDNRB (0.53) EDNRBEDNRA
SCHEMBL6288937 0.78 EDNRA (0.49) EDNRBEDNRA
SCHEMBL7211196 0.73 EDNRB (0.56) EDNRBEDNRA
SCHEMBL7317941 0.72 EDNRB (0.45) EDNRB
SCHEMBL7318413 0.72 EDNRB (0.45) EDNRB
SCHEMBL7307894 0.71 EDNRB (0.45) EDNRB
SCHEMBL6292822 0.71 EDNRB (0.43) EDNRB
SCHEMBL6288929 0.71 EDNRB (0.43) EDNRB

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-6573270-B1 Endothelin receptor antagonists PFIZER INC. 2003-06-03 US claimed