SCHEMBL7209129

SCHEMBL7209129

COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)CCCC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.55
EDNRB P24530 14/20 0.55

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
SCHEMBL7210058 0.94 EDNRA (0.56) EDNRAEDNRB
SCHEMBL7210039 0.90 EDNRA (0.62) EDNRAEDNRB
SCHEMBL14289227 0.86 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7207974 0.84 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7205895 0.81 EDNRA (0.63) EDNRAEDNRB
SCHEMBL14380599 0.80 EDNRA (0.65) EDNRAEDNRB
SCHEMBL1259727 0.79 EDNRA (0.69) EDNRAEDNRB
SCHEMBL14380594 0.79 EDNRA (0.54) EDNRAEDNRB
SCHEMBL7842038 0.79 EDNRA (0.56) EDNRAEDNRB
SCHEMBL29770411 0.79 EDNRA (0.72) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610518-B2 Using Cytochrome p450 PFIZER INC. 2003-08-26 US disclosed
US-20020012977-A1 Enzymatic oxidations PFIZER PRODUCTS INC. 2002-01-31 US disclosed
EP-1160331-A1 Enzymatic oxidations Pfizer Limited (GB) 2001-12-05 EP disclosed