SCHEMBL8548743

SCHEMBL8548743

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.52
EDNRA P25101 4/20 0.41
KMT2A Q03164 2/20 0.34
AGTR2 P50052 2/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PPARG P37231 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL8548173 0.94 EDNRB (0.52) EDNRBEDNRAKMT2AMAPTKDM4E
SCHEMBL8549919 0.93 EDNRB (0.43) EDNRBEDNRAAGTR2
SCHEMBL8552691 0.92 EDNRB (0.43) EDNRBEDNRAKMT2AAGTR2MAPT
SCHEMBL8591727 0.92 EDNRB (0.56) EDNRBEDNRAKMT2AAGTR2MAPT
SCHEMBL8551757 0.91 EDNRB (0.44) EDNRBEDNRAKMT2AAGTR2MAPT
SCHEMBL8550735 0.91 EDNRB (0.42) EDNRBEDNRAAGTR2KDM4EGAA
SCHEMBL8552575 0.88 EDNRB (0.40) EDNRBEDNRAAGTR2
SCHEMBL8551101 0.88 EDNRB (0.53) EDNRBEDNRAMAPTKDM4ELMNA
SCHEMBL8550774 0.87 EDNRB (0.43) EDNRBEDNRAKMT2AMAPTKDM4E
SCHEMBL8553120 0.87 EDNRB (0.43) 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