SCHEMBL8552129

SCHEMBL8552129

CCOC(=O)Oc1c(-c2ccc3nsnc3c2)c2cc(OC)c(OC(C)C)cc2n1Cc1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.63
EDNRA P25101 16/20 0.63
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8547840 0.92 EDNRB (0.68) EDNRBEDNRA
SCHEMBL8550420 0.89 EDNRB (0.61) EDNRBEDNRALMNAMAPTHPGD
SCHEMBL8552935 0.89 EDNRB (0.60) EDNRBEDNRALMNAMAPTHPGD
SCHEMBL8550537 0.89 EDNRB (0.53) EDNRBEDNRA
SCHEMBL8552763 0.88 EDNRB (0.47) EDNRBEDNRAMAPT
SCHEMBL8549019 0.87 EDNRB (0.49) EDNRBEDNRALMNAMAPTSMN1; SMN2
SCHEMBL8547997 0.84 EDNRB (0.54) EDNRBEDNRALMNAMAPTHPGD
SCHEMBL8549381 0.84 EDNRB (0.43) EDNRBEDNRAMAPT
SCHEMBL8552822 0.83 EDNRB (0.58) EDNRBEDNRALMNASMN1; SMN2
SCHEMBL8549630 0.83 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