SCHEMBL8043625

SCHEMBL8043625

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)cc(C)nc1OCCOC(=O)Nc1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.76
EDNRA P25101 20/20 0.76

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
SCHEMBL7569665 0.87 EDNRA (0.73) EDNRBEDNRA
SCHEMBL7852570 0.86 EDNRA (1.00) EDNRBEDNRA
SCHEMBL7573768 0.85 EDNRA (0.61) EDNRBEDNRA
SCHEMBL7851089 0.85 EDNRA (0.82) EDNRBEDNRA
SCHEMBL7851883 0.83 EDNRA (0.84) EDNRBEDNRA
SCHEMBL8444946 0.82 EDNRA (0.65) EDNRBEDNRA
SCHEMBL7949169 0.82 EDNRA (0.73) EDNRBEDNRA
SCHEMBL7570531 0.82 EDNRA (0.89) EDNRBEDNRA
SCHEMBL7574344 0.81 EDNRA (0.89) EDNRBEDNRA
SCHEMBL7572382 0.81 EDNRA (0.89) 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-6133442-A FOR THE TREATMENT OF DISORDERS WHICH ARE ASSOCIATED WITH ENDOTHELIN ACTIVITIES, ESPECIALLY CIRCULATORY DISORDERS SUCH AS HYPERTENSION, ISCHAEMIA, VASOSPASMS AND ANGINA PECTORIS HOFFMANN-LA ROCHE INC. (US) 2000-10-17 US claimed
JP-2930731-B2 1999-08-03 JP claimed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP claimed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO claimed