SCHEMBL8551760

SCHEMBL8551760

CCOC(=O)Oc1c(-c2ccc(OC)c(F)c2)c2cc(OC)c(OCc3ccccc3)cc2n1Cc1ccc2nsnc2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 10/20 0.49
EDNRA P25101 8/20 0.49
CSF1R P07333 3/20 0.39
ERN1 O75460 1/20 0.39
CTSV O60911 1/20 0.36
CTSL P07711 1/20 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
SCHEMBL8548507 0.93 EDNRB (0.54) EDNRBEDNRACSF1R
SCHEMBL8552955 0.92 EDNRB (0.52) EDNRBEDNRACSF1RERN1CTSV
SCHEMBL8549140 0.92 EDNRB (0.48) EDNRBEDNRAERN1
SCHEMBL8549390 0.90 EDNRB (0.48) EDNRBEDNRA
SCHEMBL8549019 0.88 EDNRB (0.49) EDNRBEDNRA
SCHEMBL8548806 0.87 EDNRB (0.53) EDNRBEDNRA
SCHEMBL8547873 0.87 EDNRB (0.46) EDNRBEDNRACSF1RCTSVCTSL
SCHEMBL8552951 0.86 EDNRB (0.66) EDNRBEDNRACSF1RERN1
SCHEMBL8549608 0.86 EDNRB (0.54) EDNRBEDNRA
SCHEMBL8547128 0.85 EDNRB (0.49) 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