SCHEMBL7910582

SCHEMBL7910582

COC(=O)c1ccc2c(C(C(=O)O)c3ccc4c(c3)OCO4)cn(C)c2c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.70
EDNRB P24530 18/20 0.60

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
SCHEMBL6582784 0.88 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7900613 0.86 EDNRA (0.57) EDNRAEDNRB
SCHEMBL7910670 0.82 EDNRA (0.67) EDNRAEDNRB
SCHEMBL6582199 0.80 EDNRA (0.89) EDNRAEDNRB
SCHEMBL7685248 0.78 EDNRA (0.67) EDNRAEDNRB
SCHEMBL6581605 0.78 EDNRA (0.55) EDNRAEDNRB
SCHEMBL6583479 0.78 EDNRA (0.68) EDNRAEDNRB
SCHEMBL6584300 0.78 EDNRA (0.48) EDNRAEDNRB
SCHEMBL803855 0.75 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6587903 0.75 EDNRA (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211223-B1 BENZODIOXOL-5-YL-2-METHOXY-4-METHYLPHENYLSULFONYLAMINO-2-OXO ETHYL-1-METHYL-1HINDOLE-6-CARBOXYLIC ACID PFIZER INC. 2001-04-03 US disclosed
WO-1999020623-A1 INDOLE DERIVATIVE USEFUL AS ENDOTHELIN RECEPTOR ANTAGONIST PFIZER LIMITED (GB) 1999-04-29 WO disclosed