SCHEMBL8552951

SCHEMBL8552951

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3cc(OCc4ccccc4)c(OC)cc23)cc1F

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 15/20 0.66
EDNRA P25101 12/20 0.66
CSF1R P07333 3/20 0.42
ERN1 O75460 1/20 0.42
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40

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
SCHEMBL8547973 0.93 EDNRB (0.75) EDNRBEDNRA
SCHEMBL8551276 0.91 EDNRB (0.61) EDNRBEDNRA
SCHEMBL8551023 0.91 EDNRB (0.67) EDNRBEDNRACSF1R
SCHEMBL8552955 0.89 EDNRB (0.52) EDNRBEDNRACSF1RERN1SRD5A1
SCHEMBL8551777 0.89 EDNRB (0.65) EDNRBEDNRA
SCHEMBL8551943 0.88 EDNRB (0.68) EDNRBEDNRA
SCHEMBL8551760 0.86 EDNRB (0.49) EDNRBEDNRACSF1RERN1
SCHEMBL8550830 0.86 EDNRB (0.70) EDNRBEDNRA
SCHEMBL8550894 0.85 EDNRB (0.59) EDNRBEDNRASRD5A1SRD5A2
SCHEMBL8551759 0.85 EDNRB (0.62) 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