SCHEMBL7206507

SCHEMBL7206507

Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C(=O)O)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.83
EDNRA P25101 3/20 0.81

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
SCHEMBL795650 0.91 EDNRB (1.00) EDNRBEDNRA
SCHEMBL892538 0.89 EDNRB (1.00) EDNRBEDNRA
SCHEMBL5032972 0.89 EDNRB (0.98) EDNRBEDNRA
SCHEMBL8804417 0.88 EDNRB (0.86) EDNRBEDNRA
SCHEMBL8802029 0.88 EDNRB (0.84) EDNRBEDNRA
SCHEMBL8660578 0.86 EDNRB (0.90) EDNRBEDNRA
SCHEMBL6289717 0.84 EDNRB (0.59) EDNRBEDNRA
SCHEMBL8662305 0.84 EDNRB (0.84) EDNRBEDNRA
SCHEMBL8659093 0.82 EDNRB (0.81) EDNRBEDNRA
SCHEMBL8801607 0.82 EDNRB (0.84) EDNRBEDNRA

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