SCHEMBL8329944

SCHEMBL8329944

CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3n2Cc2ccccc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 20/20 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
SCHEMBL6020330 0.87 ECE1 (0.65) ECE1
SCHEMBL6019416 0.87 ECE1 (0.63) ECE1
SCHEMBL6018613 0.87 ECE1 (0.59) ECE1
SCHEMBL8338994 0.84 ECE1 (0.56) ECE1
SCHEMBL6018607 0.82 ECE1 (0.59) ECE1
SCHEMBL6020461 0.82 ECE1 (0.57) ECE1
SCHEMBL8360486 0.82 ECE1 (0.71) ECE1
SCHEMBL6023396 0.80 ECE1 (0.68) ECE1
SCHEMBL6019426 0.79 ECE1 (0.49) ECE1
SCHEMBL6175232 0.79 ECE1 (0.47) 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