SCHEMBL8360491

SCHEMBL8360491

CC1(CC(=O)Nc2ccc3c(c2)cc(C(=O)Nc2ccccc2)n3Cc2ccccc2F)OCCO1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 20/20 0.77

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
SCHEMBL6019296 0.92 ECE1 (0.65) ECE1
SCHEMBL6018622 0.87 ECE1 (1.00) ECE1
SCHEMBL6019379 0.86 ECE1 (0.58) ECE1
SCHEMBL8360489 0.84 ECE1 (0.75) ECE1
SCHEMBL8330298 0.84 ECE1 (0.90) ECE1
SCHEMBL6020370 0.83 ECE1 (1.00) ECE1
SCHEMBL6472797 0.82 ECE1 (0.79) ECE1
SCHEMBL6019538 0.82 ECE1 (1.00) ECE1
SCHEMBL8330085 0.82 ECE1 (0.85) ECE1
SCHEMBL8329556 0.81 ECE1 (0.89) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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