SCHEMBL6936414

SCHEMBL6936414

CCCC(=O)N(C)[C@H](C(=O)N(C)Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.59
EDNRA P25101 4/20 0.59

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
SCHEMBL4792885 0.95 EDNRA (0.57) EDNRBEDNRA
SCHEMBL4766229 0.88 EDNRA (0.59) EDNRBEDNRA
SCHEMBL4766190 0.88 EDNRA (0.59) EDNRBEDNRA
SCHEMBL4771630 0.85 EDNRA (0.59) EDNRBEDNRA
SCHEMBL5530777 0.85 EDNRA (0.59) EDNRBEDNRA
SCHEMBL7553647 0.85 EDNRA (0.59) EDNRBEDNRA
SCHEMBL4774470 0.84 EDNRA (0.58) EDNRBEDNRA
SCHEMBL4771034 0.83 EDNRA (0.57) EDNRBEDNRA
SCHEMBL4769412 0.83 EDNRA (0.57) EDNRBEDNRA
SCHEMBL4769447 0.83 EDNRA (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6638937-B2 As antihypertensive agents; for therapy of disorders related to renal, glomerular and mesangial cell function; therapy of endotoxemia or endotoxin shock as well as hemorrhagic shock; useful in alleviation of pain associated cancer BRISTOL-MYERS SQUIBB CO. 2003-10-28 US disclosed