SCHEMBL7490221

SCHEMBL7490221

CCc1c(C(=O)O)n(Cc2cc3c(cc2Cl)OCO3)c2ccc(OCc3c(Cl)cccc3Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.55
EDNRB P24530 17/20 0.55

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
SCHEMBL7492499 0.84 EDNRA (0.59) EDNRAEDNRB
SCHEMBL7472885 0.80 CCR2 (0.48) EDNRAEDNRB
SCHEMBL8590639 0.80 EDNRA (0.64) EDNRAEDNRB
SCHEMBL8856638 0.78 EDNRA (0.78) EDNRAEDNRB
SCHEMBL8540948 0.78 EDNRA (0.72) EDNRAEDNRB
SCHEMBL8592047 0.78 EDNRB (0.59) EDNRAEDNRB
SCHEMBL8543571 0.78 EDNRB (0.69) EDNRAEDNRB
SCHEMBL8856822 0.77 EDNRA (0.70) EDNRAEDNRB
SCHEMBL8856815 0.76 EDNRB (0.74) EDNRAEDNRB
SCHEMBL8856658 0.76 EDNRB (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242075-A4 INDOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-12-04 EP disclosed
EP-1242075-A2 INDOLE COMPOUNDS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
WO-2001030752-A2 INDOLE COMPOUNDS FOR TREATING BACTERIAL INFECTIONS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-03 WO disclosed