SCHEMBL5493621

SCHEMBL5493621

CCS(=O)(=O)Nc1nc(-c2ncccn2)nc(OCCOc2ncc(Br)cn2)c1Oc1ccccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 20/20 1.00
▸ EDNRA P25101 20/20 1.00

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
SCHEMBL14289233 0.94 EDNRB (1.00) EDNRBEDNRA
SCHEMBL14289225 0.92 EDNRB (0.85) EDNRBEDNRA
SCHEMBL14289224 0.90 EDNRB (0.82) EDNRBEDNRA
SCHEMBL14289235 0.86 EDNRB (0.86) EDNRBEDNRA
SCHEMBL7479303 0.86 EDNRA (0.84) EDNRBEDNRA
SCHEMBL7483156 0.86 EDNRB (0.78) EDNRBEDNRA
SCHEMBL14289226 0.85 EDNRA (0.84) EDNRBEDNRA
SCHEMBL14380540 0.85 EDNRB (0.90) EDNRBEDNRA
SCHEMBL14289234 0.84 EDNRB (0.84) EDNRBEDNRA
SCHEMBL7483162 0.83 EDNRB (0.74) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465875-B1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-12-19 — — EP claimed
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 — — US disclosed
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 — — US disclosed
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