SCHEMBL8551101

SCHEMBL8551101

CCCCN(C(C)=O)c1ccc2c(c1)c(-c1ccc3c(c1)OCO3)c(OC(=O)OCC)n2Cc1ccc2nsnc2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 15/20 0.53
EDNRA P25101 12/20 0.53
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL8549919 0.89 EDNRB (0.43) EDNRBEDNRA
SCHEMBL8548743 0.88 EDNRB (0.52) EDNRBEDNRALMNAMAPTHPGD
SCHEMBL8550735 0.87 EDNRB (0.42) EDNRBEDNRAKDM4EGAAHSD17B10
SCHEMBL8552691 0.87 EDNRB (0.43) EDNRBEDNRALMNAMAPTSMN1; SMN2
SCHEMBL8552575 0.83 EDNRB (0.40) EDNRBEDNRA
SCHEMBL8553120 0.83 EDNRB (0.43) EDNRBEDNRA
SCHEMBL8549321 0.83 EDNRB (0.53) EDNRBEDNRALMNAMAPTSMN1; SMN2
SCHEMBL8551757 0.82 EDNRB (0.44) EDNRBEDNRALMNAMAPTKDM4E
SCHEMBL8550774 0.82 EDNRB (0.43) EDNRBEDNRALMNAMAPTSMN1; SMN2
SCHEMBL8548173 0.82 EDNRB (0.52) EDNRBEDNRALMNAMAPTHPGD

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