SCHEMBL6588099

SCHEMBL6588099

COc1cc(C(C(=O)O)c2cn(C)c3cc(Br)ccc23)cc2c1OCO2

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.45
EDNRB P24530 18/20 0.45

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
SCHEMBL7686474 0.92 EDNRA (0.45) EDNRAEDNRB
SCHEMBL6584602 0.82 EDNRA (0.70) EDNRAEDNRB
SCHEMBL6586639 0.80 EDNRA (0.40) EDNRA
SCHEMBL7791737 0.80 EDNRA (0.48) EDNRAEDNRB
SCHEMBL7791741 0.79 EDNRA (0.46) EDNRAEDNRB
SCHEMBL6584112 0.77 EDNRA (0.43) EDNRAEDNRB
SCHEMBL6584300 0.75 EDNRA (0.48) EDNRAEDNRB
SCHEMBL7910582 0.72 EDNRA (0.70) EDNRAEDNRB
SCHEMBL7676135 0.72 EDNRA (0.46) EDNRAEDNRB
SCHEMBL6584222 0.72 EDNRA (0.39) EDNRA

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-0901470-B1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER (US) 2004-03-31 EP disclosed