SCHEMBL8329462

SCHEMBL8329462

C=CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2Cc1ccccc1F

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 20/20 0.83

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
SCHEMBL8360486 0.92 ECE1 (0.71) ECE1
SCHEMBL6020370 0.91 ECE1 (1.00) ECE1
SCHEMBL6019442 0.88 ECE1 (0.93) ECE1
SCHEMBL8339126 0.87 ECE1 (0.82) ECE1
SCHEMBL6019538 0.86 ECE1 (1.00) ECE1
SCHEMBL6018905 0.86 ECE1 (1.00) ECE1
SCHEMBL8362939 0.86 ECE1 (0.90) ECE1
SCHEMBL8330098 0.85 ECE1 (0.88) ECE1
SCHEMBL8360489 0.85 ECE1 (0.75) ECE1
SCHEMBL6019763 0.84 ECE1 (0.87) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004056768-A2 USE OF SUBSTITUTED 2,5-DIAMIDOINDOLES FOR THE TREATMENT OF UROLOGICAL DISEASES BAYER HEALTHCARE AG (DE) 2004-07-08 WO 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