SCHEMBL8545381

SCHEMBL8545381

O=C(O)c1c(-c2cc(Cl)cc(Cl)c2)c2cc(O)ccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.53
EDNRB P24530 16/20 0.53
ABCB11 O95342 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
SCHEMBL8540470 0.88 EDNRB (0.66) EDNRAEDNRB
SCHEMBL8592047 0.88 EDNRB (0.59) EDNRAEDNRB
SCHEMBL8546889 0.87 LMNA (0.51) EDNRAEDNRB
SCHEMBL7492499 0.83 EDNRA (0.59) EDNRAEDNRBABCB11
SCHEMBL8545866 0.82 EDNRA (0.66) EDNRAEDNRB
SCHEMBL8543285 0.81 EDNRB (0.69) EDNRAEDNRB
SCHEMBL8546008 0.81 EDNRB (0.60) EDNRAEDNRB
SCHEMBL8539775 0.81 LMNA (0.51) EDNRAEDNRB
SCHEMBL8616220 0.81 MAPT (0.51) EDNRAEDNRB
SCHEMBL8590639 0.80 EDNRA (0.64) EDNRAEDNRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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