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Sugi Predict / Compounds / SCHEMBL6174973

SCHEMBL6174973

SCHEMBL6174973

CCOC(=O)Oc1cc2cc(NC(=O)CC(C)(C)C)ccc2n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 19/20 0.65
▸ KCNQ3 O43525 1/20 0.43
▸ KCNQ2 O43526 1/20 0.43
▸ KCNQ4 P56696 1/20 0.43
▸ KCNQ5 Q9NR82 1/20 0.43

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
SCHEMBL6173985 0.90 ECE1 (0.64) ECE1
SCHEMBL6174890 0.90 ECE1 (0.72) ECE1
SCHEMBL6019258 0.86 ECE1 (0.75) ECE1
SCHEMBL6610640 0.85 ECE1 (0.75) ECE1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL6018597 0.81 ECE1 (0.84) ECE1
SCHEMBL8361099 0.79 ECE1 (1.00) ECE1
SCHEMBL6175629 0.79 ECE1 (0.71) ECE1
SCHEMBL6173723 0.78 ECE1 (0.62) ECE1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8337380 0.77 ECE1 (0.84) ECE1
SCHEMBL6175488 0.77 ECE1 (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432415-B1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-12-28 — — EP disclosed
EP-1432415-A1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2004-06-30 — — EP 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