SCHEMBL8655564

SCHEMBL8655564

CCCCN(C(C)=O)c1ccc2c(c1)c(-c1ccc(C=O)cc1)c(C(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.56
EDNRA P25101 11/20 0.50
SERPINE1 P05121 4/20 0.36
AGTR2 P50052 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
SCHEMBL8545779 0.93 EDNRB (0.55) EDNRBEDNRASERPINE1
SCHEMBL8552257 0.92 EDNRB (0.58) EDNRBEDNRASERPINE1AGTR2
SCHEMBL8655565 0.89 EDNRB (0.45) EDNRBEDNRAAGTR2
SCHEMBL8551303 0.87 EDNRB (0.59) EDNRBEDNRASERPINE1AGTR2
SCHEMBL8548900 0.87 EDNRB (0.53) EDNRBEDNRASERPINE1
SCHEMBL8550735 0.86 EDNRB (0.42) EDNRBEDNRAAGTR2
SCHEMBL8548814 0.85 EDNRB (0.57) EDNRBEDNRASERPINE1AGTR2
SCHEMBL8550814 0.83 EDNRB (0.53) EDNRBEDNRAAGTR2
SCHEMBL8551966 0.83 EDNRB (0.69) EDNRBEDNRASERPINE1
SCHEMBL8545781 0.83 EDNRB (0.44) EDNRBEDNRAAGTR2

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