SCHEMBL7990470

SCHEMBL7990470

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccncc2)nc1OC1CCN(C)CC1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.76
EDNRB P24530 19/20 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
SCHEMBL7997030 0.93 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7991383 0.93 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7993480 0.91 EDNRA (0.77) EDNRAEDNRB
SCHEMBL5204847 0.87 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7991425 0.85 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7993557 0.84 EDNRA (0.76) EDNRAEDNRB
SCHEMBL7993831 0.83 EDNRA (0.77) EDNRAEDNRB
SCHEMBL7994128 0.83 EDNRA (0.79) EDNRAEDNRB
SCHEMBL7993461 0.82 EDNRA (0.73) EDNRAEDNRB
SCHEMBL7195290 0.82 EDNRA (0.83) 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
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed