SCHEMBL8631708

SCHEMBL8631708

COc1cccc(Cc2nc(OCCO)c(Oc3ccccc3)c(OS(=O)(=O)c3ccc(C(C)C)cn3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.42
EDNRA P25101 17/20 0.40
EDNRB P24530 16/20 0.40
BRS3 P32247 1/20 0.36

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
SCHEMBL8635760 0.93 DHPS (0.50) DHPSEDNRAEDNRB
SCHEMBL8638012 0.92 DHPS (0.39) DHPSEDNRAEDNRB
SCHEMBL8635722 0.88 DHPS (0.35) DHPSEDNRAEDNRBBRS3
SCHEMBL8637899 0.81 DHPS (0.43) DHPSEDNRAEDNRB
SCHEMBL8398732 0.80 EDNRA (0.42) DHPSEDNRAEDNRB
SCHEMBL7850931 0.77 DHPS (0.69) DHPS
SCHEMBL7850930 0.75 DHPS (0.56) DHPSEDNRAEDNRBBRS3
SCHEMBL7590654 0.72 EDNRA (0.53) EDNRAEDNRB
SCHEMBL7596071 0.71 EDNRA (0.52) EDNRAEDNRB
SCHEMBL8398843 0.69 DHPS (0.41) DHPSEDNRAEDNRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5837708-A CARDIOVASCULAR DISORDERS OF HYPERTENSION, ISCHEMIA, ANGINA PECTORIS AND VASOSPASMS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US claimed
US-5837708-A CARDIOVASCULAR DISORDERS OF HYPERTENSION, ISCHEMIA, ANGINA PECTORIS AND VASOSPASMS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US disclosed