SCHEMBL7851591

SCHEMBL7851591

COc1ccccc1Oc1c(OCCO)ncnc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHPS P49366 14/20 0.56
EDNRA P25101 5/20 0.54
EDNRB P24530 3/20 0.47
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL4060249 0.86 DHPS (0.66) DHPSEDNRAEDNRB
SCHEMBL7851914 0.81 EDNRA (0.49) DHPSEDNRAEDNRB
SCHEMBL5633773 0.80 DHPS (0.56) DHPSEDNRAEDNRB
SCHEMBL4061140 0.80 EDNRA (0.67) DHPSEDNRAEDNRB
SCHEMBL5631560 0.79 DHPS (0.55) DHPSEDNRAEDNRB
SCHEMBL4066782 0.78 DHPS (0.66) DHPSEDNRAEDNRB
SCHEMBL6584269 0.76 DHPS (0.62) DHPSEDNRAEDNRB
SCHEMBL7853937 0.76 DHPS (0.57) DHPSEDNRAEDNRB
SCHEMBL7298132 0.75 EDNRA (0.76) DHPSEDNRAEDNRB
SCHEMBL4060942 0.75 DHPS (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP claimed