SCHEMBL7686818

SCHEMBL7686818

COc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1ccc2c(c1)OCO2)c1cn(C)c2ccc(CO)cc12

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.89
EDNRB P24530 18/20 0.89

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
SCHEMBL7687014 0.94 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6585541 0.90 EDNRA (0.76) EDNRAEDNRB
SCHEMBL7684835 0.88 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7679969 0.86 EDNRA (0.84) EDNRAEDNRB
SCHEMBL6582341 0.85 EDNRA (0.84) EDNRAEDNRB
SCHEMBL803855 0.85 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6587903 0.85 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7682649 0.85 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6582199 0.85 EDNRA (0.89) EDNRAEDNRB
SCHEMBL7686836 0.84 EDNRA (0.82) 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
US-6384070-B2 RESTENOSIS, KIDNEY DISEASES, LUNG DISEASES PFIZER INC. 2002-05-07 US disclosed
US-6306852-B1 INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF A VARIETY OF DISEASES INCLUDING RESTENOSIS, RENAL FAILURE AND PULMONARY HYPERTENSION, AND TO PHARMACEUTICAL FORMULATIONS CONTAINING SUCH COMPOUNDS. PFIZER INC. 2001-10-23 US disclosed
US-6136843-A CARDIOVASCULAR DISORDERS; KIDNEY DISORDERS PFIZER INC (US) 2000-10-24 US disclosed
US-6017945-A USEFUL IN THE TREATMENT OF RESTENOSIS, RENAL FAILURE AND PULMONARY HYPERTENSION PFIZER INC. (US) 2000-01-25 US disclosed