SCHEMBL8397162

SCHEMBL8397162

COc1cccc(Oc2c(OCCOC(C)=O)nc(C(=O)ON)nc2S(=O)(=O)c2ccc(C)cn2)c1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.37
EDNRA P25101 9/20 0.37

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
SCHEMBL8395146 0.90 EDNRB (0.39) EDNRBEDNRA
SCHEMBL8397158 0.78 EDNRA (0.49) EDNRBEDNRA
SCHEMBL8399583 0.72 EDNRA (0.51) EDNRBEDNRA
SCHEMBL7598557 0.69 EDNRA (0.51) EDNRBEDNRA
SCHEMBL8395136 0.69 EDNRA (0.51) EDNRBEDNRA
SCHEMBL7591775 0.67 EDNRB (0.51) EDNRBEDNRA
SCHEMBL8395712 0.66 EDNRB (0.53) EDNRBEDNRA
SCHEMBL7598561 0.65 EDNRA (0.50) EDNRBEDNRA
SCHEMBL8398693 0.64 EDNRB (0.62) EDNRBEDNRA
SCHEMBL24970053 0.64 MTNR1A (0.63)

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
US-5856484-A Sulfonylaminopyrimidine carboxylic acid derivatives having endothelin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed