SCHEMBL6174629

SCHEMBL6174629

CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(OC(=O)Nc1ccccc1)n2Cc1c(F)cccc1F

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 20/20 0.73

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
SCHEMBL6173850 0.93 ECE1 (0.63) ECE1
SCHEMBL6175488 0.91 ECE1 (0.73) ECE1
SCHEMBL6175560 0.86 ECE1 (0.64) ECE1
SCHEMBL6174737 0.85 ECE1 (0.62) ECE1
SCHEMBL6177288 0.84 ECE1 (0.64) ECE1
SCHEMBL6019689 0.84 ECE1 (1.00) ECE1
SCHEMBL6175629 0.83 ECE1 (0.71) ECE1
SCHEMBL6174552 0.82 ECE1 (0.76) ECE1
SCHEMBL6176218 0.79 ECE1 (0.47) ECE1
SCHEMBL6173985 0.78 ECE1 (0.64) ECE1

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-1432415-B1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-12-28 EP disclosed
EP-1432415-A1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2004-06-30 EP disclosed
WO-2003028719-A1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2003-04-10 WO disclosed