SCHEMBL8337113

SCHEMBL8337113

CC(=O)Nc1ccc(NC(=O)c2cc3cc(NC(=O)CC4CCCO4)ccc3n2Cc2ccccc2F)cc1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 20/20 0.70

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
SCHEMBL8362936 0.94 ECE1 (0.79) ECE1
SCHEMBL6020407 0.93 ECE1 (0.73) ECE1
SCHEMBL8363459 0.90 ECE1 (0.65) ECE1
SCHEMBL8360495 0.88 ECE1 (0.76) ECE1
SCHEMBL8330085 0.82 ECE1 (0.85) ECE1
SCHEMBL8330298 0.82 ECE1 (0.90) ECE1
SCHEMBL8360497 0.82 ECE1 (0.98) ECE1
SCHEMBL8362939 0.81 ECE1 (0.90) ECE1
SCHEMBL6020258 0.81 ECE1 (0.73) ECE1
SCHEMBL8360491 0.79 ECE1 (0.77) 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