SCHEMBL8545779

SCHEMBL8545779

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

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.55
EDNRA P25101 11/20 0.49
SERPINE1 P05121 4/20 0.36

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
SCHEMBL8655564 0.93 EDNRB (0.56) EDNRBEDNRASERPINE1
SCHEMBL8548814 0.92 EDNRB (0.57) EDNRBEDNRASERPINE1
SCHEMBL8551966 0.90 EDNRB (0.69) EDNRBEDNRASERPINE1
SCHEMBL8545781 0.89 EDNRB (0.44) EDNRBEDNRA
SCHEMBL8547308 0.88 EDNRB (0.59) EDNRBEDNRASERPINE1
SCHEMBL8548900 0.86 EDNRB (0.53) EDNRBEDNRASERPINE1
SCHEMBL8551113 0.86 EDNRB (0.41) EDNRBEDNRA
SCHEMBL8551991 0.85 EDNRB (0.52) EDNRBEDNRASERPINE1
SCHEMBL8552257 0.85 EDNRB (0.58) EDNRBEDNRASERPINE1
SCHEMBL8624241 0.83 EDNRB (0.52) 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