SCHEMBL7338403

SCHEMBL7338403

COC(=O)c1ccc(OC(C(=O)NS(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)c(CC(C)C)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.72
EDNRB P24530 10/20 0.72
AGTR1 P30556 2/20 0.51

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
SCHEMBL7331230 0.93 EDNRA (0.83) EDNRAEDNRBAGTR1
SCHEMBL7329183 0.91 EDNRA (0.86) EDNRAEDNRBAGTR1
SCHEMBL7338911 0.85 EDNRA (0.77) EDNRAEDNRBAGTR1
SCHEMBL7333529 0.85 EDNRA (0.76) EDNRAEDNRBAGTR1
SCHEMBL7331709 0.84 EDNRA (0.75) EDNRAEDNRBAGTR1
SCHEMBL7330600 0.84 EDNRA (0.77) EDNRAEDNRBAGTR1
SCHEMBL7332944 0.84 EDNRA (0.88) EDNRAEDNRBAGTR1
L-754142 SCHEMBL4193035 0.84 EDNRA (1.00) EDNRAEDNRBAGTR1
L-754142 SCHEMBL29551244 0.84 EDNRA (1.00) EDNRAEDNRBAGTR1
SCHEMBL7337968 0.83 EDNRA (0.50) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617001-B1 Phenoxyphenylacetic acid derivatives MERCK & CO INC (US) 2000-01-26 EP claimed
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 WO claimed
EP-0617001-B1 Phenoxyphenylacetic acid derivatives MERCK & CO INC (US) 2000-01-26 EP disclosed
US-5767310-A Phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1998-06-16 US disclosed
US-5668176-A ENDOTHELIN ANTAGONIST MERCK & CO. INC. (US) 1997-09-16 US disclosed
US-5565485-A TREATING CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1996-10-15 US disclosed
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 WO disclosed
WO-1996004905-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-02-22 WO disclosed
WO-1994021590-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO disclosed
EP-0617001-A1 Phenoxyphenylacetic acid derivatives MERCK & CO. INC. (US) 1994-09-28 EP disclosed