SCHEMBL7569554

SCHEMBL7569554

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)cc(C(=O)N2CCN(C=O)CC2)cc1OCCO

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.68
EDNRB P24530 16/20 0.68

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
SCHEMBL7574597 0.93 EDNRA (0.70) EDNRAEDNRB
SCHEMBL7566467 0.93 EDNRA (0.78) EDNRAEDNRB
SCHEMBL7565518 0.92 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7565787 0.91 EDNRA (0.69) EDNRAEDNRB
SCHEMBL7569389 0.89 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7572382 0.88 EDNRA (0.89) EDNRAEDNRB
SCHEMBL8444966 0.88 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7568270 0.87 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7567461 0.86 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7569655 0.86 EDNRA (0.60) 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