SCHEMBL8550378

SCHEMBL8550378

CCCCN(c1ccc2c(c1)c(-c1ccc3nsnc3c1)c(C(=O)O)n2Cc1cc(OC)ccc1OC)S(=O)(=O)CCCC

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 15/20 0.51
EDNRA P25101 9/20 0.45
TP53 P04637 1/20 0.34

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
SCHEMBL8550380 0.91 EDNRB (0.41) EDNRBEDNRA
SCHEMBL8553567 0.88 EDNRB (0.67) EDNRBEDNRA
SCHEMBL8548124 0.88 EDNRB (0.56) EDNRBEDNRA
SCHEMBL8551081 0.86 EDNRB (0.55) EDNRBEDNRATP53
SCHEMBL8551990 0.82 EDNRB (0.51) EDNRBEDNRA
SCHEMBL8547943 0.82 EDNRB (0.55) EDNRBEDNRA
SCHEMBL8548216 0.81 EDNRB (0.65) EDNRBEDNRATP53
SCHEMBL8552362 0.81 EDNRB (0.40) EDNRBEDNRATP53
SCHEMBL8551941 0.80 EDNRB (0.58) EDNRBEDNRATP53
SCHEMBL8548900 0.80 EDNRB (0.53) 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
EP-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 EP disclosed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 WO disclosed