SCHEMBL7696685

SCHEMBL7696685

COc1ccccc1Oc1c(N)nc(-c2ncccn2)nc1OCCNC(=O)Nc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.57
EDNRB P24530 6/20 0.57
DHPS P49366 12/20 0.52

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
SCHEMBL7696683 0.92 EDNRA (0.56) EDNRAEDNRBDHPS
SCHEMBL7699797 0.90 DHPS (0.56) EDNRAEDNRBDHPS
SCHEMBL7850706 0.86 EDNRA (0.52) EDNRAEDNRBDHPS
SCHEMBL7699796 0.82 EDNRA (0.52) EDNRAEDNRBDHPS
SCHEMBL4061147 0.79 DHPS (0.80) EDNRAEDNRBDHPS
SCHEMBL7850330 0.79 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7848794 0.79 EDNRA (0.65) EDNRAEDNRBDHPS
SCHEMBL7700301 0.78 DHPS (0.64) EDNRAEDNRBDHPS
SCHEMBL4060092 0.77 EDNRB (0.67) EDNRAEDNRBDHPS
SCHEMBL7209693 0.75 DHPS (0.58) DHPS

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-2002083650-A1 NOVEL SULFONYLAMINO-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2002-10-24 WO disclosed