SCHEMBL7335274

SCHEMBL7335274

CCCc1cc(C=O)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.78
EDNRB P24530 9/20 0.78
AGTR1 P30556 3/20 0.61
AGTR2 P50052 1/20 0.50

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
SCHEMBL7332470 0.89 EDNRA (0.76) EDNRAEDNRBAGTR1AGTR2
SCHEMBL8903408 0.89 EDNRA (0.81) EDNRAEDNRBAGTR1AGTR2
SCHEMBL8124977 0.89 EDNRA (0.81) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7333006 0.88 EDNRA (0.79) EDNRAEDNRBAGTR1AGTR2
L-754142 SCHEMBL4193035 0.88 EDNRA (1.00) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7332944 0.88 EDNRA (0.88) EDNRAEDNRBAGTR1AGTR2
L-754142 SCHEMBL29551244 0.88 EDNRA (1.00) EDNRAEDNRBAGTR1AGTR2
SCHEMBL795556 0.88 EDNRA (0.79) EDNRAEDNRBAGTR1AGTR2
L-754142 SCHEMBL7722258 0.87 EDNRA (0.98) EDNRAEDNRBAGTR1AGTR2
SCHEMBL8905309 0.87 EDNRA (0.78) EDNRAEDNRBAGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 WO claimed
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