SCHEMBL7566469

SCHEMBL7566469

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)cc(C(=O)N2CC(C)OC(C)C2)cc1OCCOC(=O)Nc1ccccn1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.81
EDNRB P24530 19/20 0.81

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
SCHEMBL7574534 0.90 EDNRB (0.87) EDNRAEDNRB
SCHEMBL7570531 0.90 EDNRA (0.89) EDNRAEDNRB
SCHEMBL7569724 0.90 EDNRA (0.91) EDNRAEDNRB
SCHEMBL7569697 0.90 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7574344 0.89 EDNRA (0.89) EDNRAEDNRB
SCHEMBL7572382 0.89 EDNRA (0.89) EDNRAEDNRB
SCHEMBL7568270 0.88 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7568930 0.87 EDNRA (0.85) EDNRAEDNRB
SCHEMBL7569665 0.83 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7949169 0.83 EDNRA (0.73) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP 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
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
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 disclosed
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 disclosed
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 disclosed