SCHEMBL7569017

SCHEMBL7569017

C=CCNC(=O)OC1CCCC(CNC(=O)c2ccccc2OC)(c2ccccc2)C1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 19/20 0.82
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL3968487 1.00 KCNA3 (0.82) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3899524 0.90 KCNA3 (1.00) KCNA3
SCHEMBL3908371 0.90 KCNA3 (1.00) KCNA3
SCHEMBL3898206 0.86 MEN1 (0.70) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3898203 0.86 MEN1 (0.70) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3898201 0.86 MEN1 (0.70) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3898079 0.84 KCNA3 (0.88) KCNA3
SCHEMBL3908635 0.83 KCNA3 (0.85) KCNA3
SCHEMBL3901643 0.82 KCNA3 (0.84) KCNA3
SCHEMBL3901594 0.81 KCNA3 (1.00) KCNA3

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-1143965-A4 CARBOCYCLIC POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2002-10-09 EP disclosed
EP-1143965-A1 CARBOCYCLIC POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2001-10-17 EP disclosed
WO-2000025770-A1 CARBOCYCLIC POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed