Sugi Predict

Sugi Predict / Compounds / SCHEMBL7568930

SCHEMBL7568930

SCHEMBL7568930

CCOC(=O)ON1CCN(C(=O)c2cc(NS(=O)(=O)c3ccc(C(C)C)cn3)c(Oc3ccccc3OC)c(OCCOC(=O)Nc3ccccn3)c2)CC1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.85
▸ EDNRB P24530 19/20 0.85

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
SCHEMBL7574344 0.94 EDNRA (0.89) EDNRAEDNRB
SCHEMBL7569724 0.92 EDNRA (0.91) EDNRAEDNRB
SCHEMBL7569697 0.92 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7570531 0.91 EDNRA (0.89) EDNRAEDNRB
SCHEMBL7572382 0.91 EDNRA (0.89) EDNRAEDNRB
SCHEMBL7574534 0.90 EDNRB (0.87) EDNRAEDNRB
SCHEMBL7569389 0.89 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7566469 0.87 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7567694 0.84 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7565787 0.83 EDNRA (0.69) 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 1 patent. 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