SCHEMBL8546008

SCHEMBL8546008

O=C(O)c1c(-c2cc(Cl)cc(Cl)c2)c2cc(OCc3ccc(OC(F)(F)F)cc3)ccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 17/20 0.60
EDNRA P25101 17/20 0.60
SERPINE1 P05121 1/20 0.45
PTGES O14684 1/20 0.42

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
SCHEMBL8545164 0.91 EDNRB (0.51) EDNRBEDNRA
SCHEMBL8592047 0.89 EDNRB (0.59) EDNRBEDNRA
SCHEMBL8856577 0.86 EDNRB (0.64) EDNRBEDNRASERPINE1
SCHEMBL8540948 0.85 EDNRA (0.72) EDNRBEDNRA
SCHEMBL8856895 0.84 EDNRB (0.71) EDNRBEDNRA
SCHEMBL8856638 0.83 EDNRA (0.78) EDNRBEDNRA
SCHEMBL8856815 0.83 EDNRB (0.74) EDNRBEDNRA
SCHEMBL8856755 0.83 EDNRB (0.65) EDNRBEDNRASERPINE1
SCHEMBL8545376 0.83 EDNRB (0.59) EDNRBEDNRA
SCHEMBL8856873 0.82 EDNRA (0.65) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684032-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC, ANTIASTHMATIC AGENTS AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-04 US claimed
EP-0800389-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-04-29 EP disclosed
US-5684032-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC, ANTIASTHMATIC AGENTS AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-04 US disclosed
EP-0800389-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-15 EP disclosed
WO-1996018393-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-20 WO disclosed