SCHEMBL8551723

SCHEMBL8551723

CCCCNc1ccc2c(c1)c(-c1ccc(C=O)cc1)c(C(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.58
EDNRA P25101 9/20 0.52
SERPINE1 P05121 5/20 0.45
PLA2G2A P14555 1/20 0.35

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
SCHEMBL8548103 0.91 EDNRB (0.60) EDNRBEDNRASERPINE1
SCHEMBL8547616 0.89 EDNRB (0.73) EDNRBEDNRASERPINE1
SCHEMBL8551100 0.89 EDNRB (0.56) EDNRBEDNRASERPINE1
SCHEMBL8551727 0.89 EDNRB (0.47) EDNRBEDNRASERPINE1PLA2G2A
SCHEMBL8551689 0.87 EDNRB (0.61) EDNRBEDNRASERPINE1
SCHEMBL8550747 0.83 EDNRB (0.58) EDNRBEDNRASERPINE1
SCHEMBL8550818 0.83 EDNRB (0.83) EDNRBEDNRASERPINE1
SCHEMBL8655564 0.82 EDNRB (0.56) EDNRBEDNRASERPINE1
SCHEMBL8552318 0.82 EDNRB (0.55) EDNRBEDNRASERPINE1
SCHEMBL8545779 0.82 EDNRB (0.55) EDNRBEDNRASERPINE1

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