SCHEMBL9308384

SCHEMBL9308384

CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)O)c1cccc(N(C)C)c1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.71
EDNRA P25101 3/20 0.71

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
SCHEMBL9308852 0.91 EDNRB (0.75) EDNRBEDNRA
SCHEMBL9127065 0.91 EDNRB (0.81) EDNRBEDNRA
SCHEMBL9309962 0.89 EDNRB (0.73) EDNRBEDNRA
SCHEMBL9307837 0.89 EDNRB (0.73) EDNRBEDNRA
SCHEMBL9423808 0.89 EDNRB (0.72) EDNRBEDNRA
SCHEMBL9308130 0.86 EDNRB (0.79) EDNRBEDNRA
SCHEMBL9307168 0.86 EDNRB (0.68) EDNRBEDNRA
SCHEMBL9309127 0.85 EDNRB (0.77) EDNRBEDNRA
SCHEMBL9391548 0.85 EDNRB (0.76) EDNRBEDNRA
SCHEMBL9393002 0.84 EDNRB (0.75) 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-5374638-A Cardiovascular disorders, hypotensive agents MERCK & CO., INC. (US) 1994-12-20 US disclosed