SCHEMBL8330650

SCHEMBL8330650

CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2CCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 20/20 1.00

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
SCHEMBL8361066 0.95 ECE1 (0.91) ECE1
SCHEMBL6020433 0.90 ECE1 (0.81) ECE1
SCHEMBL8362934 0.90 ECE1 (0.81) ECE1
SCHEMBL6019183 0.87 ECE1 (0.76) ECE1
SCHEMBL6020370 0.82 ECE1 (1.00) ECE1
SCHEMBL6019689 0.82 ECE1 (1.00) ECE1
SCHEMBL6069195 0.81 ECE1 (1.00) ECE1
SCHEMBL8361099 0.80 ECE1 (1.00) ECE1
SCHEMBL6018900 0.80 ECE1 (0.66) ECE1
SCHEMBL6470913 0.80 ECE1 (0.66) 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