SCHEMBL8545866

SCHEMBL8545866

O=C(O)c1c(-c2ccc(F)c(Cl)c2)c2ccccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 15/20 0.66
EDNRB P24530 15/20 0.66
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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 0.89 EDNRB (0.66) EDNRAEDNRBMEN1KMT2A
SCHEMBL8543285 0.89 EDNRB (0.69) EDNRAEDNRBMEN1KMT2A
SCHEMBL8856691 0.84 EDNRA (0.62) EDNRAEDNRB
SCHEMBL8545381 0.82 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8856802 0.81 EDNRA (0.61) EDNRAEDNRB
SCHEMBL8541723 0.81 EDNRB (0.57) EDNRAEDNRBMEN1KMT2A
SCHEMBL6308654 0.80 EDNRB (0.55) EDNRAEDNRBMEN1KMT2A
SCHEMBL8590639 0.80 EDNRA (0.64) EDNRAEDNRB
SCHEMBL8856895 0.79 EDNRB (0.71) EDNRAEDNRB
SCHEMBL8857065 0.79 EDNRA (0.55) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

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