SCHEMBL8900951

SCHEMBL8900951

CCOC(=O)c1c(-c2ccc(OC)cc2)c2ccccc2n1Cc1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 17/20 0.64
EDNRA P25101 15/20 0.64
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL8901534 0.95 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8902335 0.89 EDNRB (0.80) EDNRBEDNRA
SCHEMBL8029697 0.86 EDNRB (0.53) EDNRBEDNRALMNAMAPTHPGD
SCHEMBL8900846 0.84 EDNRA (0.81) EDNRBEDNRA
SCHEMBL6859336 0.83 PPARG (0.54) EDNRBEDNRALMNAMAPT
SCHEMBL6857727 0.80 PPARG (0.72) MAPTSMN1; SMN2
SCHEMBL6851257 0.80 PLA2G2A (0.53) EDNRBEDNRAMAPT
SCHEMBL6858332 0.79 PPARG (0.50) EDNRBEDNRALMNAMAPT
SCHEMBL6851276 0.78 EDNRB (0.52) EDNRBEDNRAMAPT
SCHEMBL6322272 0.78 EDNRB (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686481-A INDOLE DERIVATIVES; TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed
EP-0676959-A4 ENDOTHELIN RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1996-01-03 EP disclosed
EP-0676959-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP disclosed
WO-1994014434-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed