SCHEMBL7700301

SCHEMBL7700301

COc1ccccc1Oc1c(N)nc(-c2ncccn2)nc1OCCN

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 14/20 0.64
EDNRA P25101 6/20 0.54
EDNRB P24530 2/20 0.54

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
SCHEMBL4060092 0.89 EDNRB (0.67) DHPSEDNRAEDNRB
SCHEMBL4061147 0.89 DHPS (0.80) DHPSEDNRAEDNRB
SCHEMBL7209693 0.87 DHPS (0.58) DHPS
SCHEMBL7700296 0.85 EDNRA (0.57) DHPSEDNRAEDNRB
SCHEMBL4059948 0.84 EDNRA (0.63) DHPSEDNRAEDNRB
SCHEMBL4062792 0.84 EDNRB (0.63) DHPSEDNRAEDNRB
SCHEMBL8323076 0.83 DHPS (0.56) DHPSEDNRAEDNRB
SCHEMBL4064951 0.83 EDNRB (0.70) DHPSEDNRAEDNRB
SCHEMBL5107964 0.82 EDNRB (0.64) DHPSEDNRAEDNRB
SCHEMBL4064097 0.80 DHPS (0.74) 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