SCHEMBL7997005

SCHEMBL7997005

COc1ccccc1Oc1c(N)nc(-c2ncccn2)nc1OCC1CCCO1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.52
DHPS P49366 3/20 0.48

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
SCHEMBL7996807 0.90 DHPS (0.53) EDNRADHPS
SCHEMBL7997001 0.89 EDNRA (0.51) EDNRA
SCHEMBL7997033 0.84 EDNRB (0.49) EDNRADHPS
SCHEMBL7993553 0.84 DHPS (0.50) EDNRADHPS
SCHEMBL7993994 0.81 EDNRB (0.56) EDNRADHPS
SCHEMBL7979093 0.81 ALDH1A1 (0.47) EDNRADHPS
SCHEMBL7979130 0.80 GPR84 (0.39) EDNRADHPS
SCHEMBL7993871 0.79 EDNRB (0.56) EDNRADHPS
SCHEMBL7997032 0.79 EDNRB (0.59) EDNRADHPS
SCHEMBL7979433 0.79 EDNRB (0.38) EDNRADHPS

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