SCHEMBL6584112

SCHEMBL6584112

Cn1cc(C(C(=O)O)c2cc3c(cc2Cl)OCO3)c2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.43
EDNRB P24530 15/20 0.43
SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL7676135 0.89 EDNRA (0.46) EDNRAEDNRB
SCHEMBL6583795 0.81 EDNRA (0.62) EDNRAEDNRB
SCHEMBL6584567 0.77 EDNRA (0.41) EDNRA
SCHEMBL6588099 0.77 EDNRA (0.45) EDNRAEDNRB
SCHEMBL6584300 0.76 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6583937 0.71 EDNRA (0.81) EDNRAEDNRB
SCHEMBL6582784 0.70 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7686474 0.70 EDNRA (0.45) EDNRAEDNRB
SCHEMBL6584412 0.69 EDNRA (0.60) EDNRAEDNRB
SCHEMBL6585072 0.69 EDNRA (0.79) 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 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