SCHEMBL3895573

SCHEMBL3895573

COc1ccccc1C(=O)NC[C@@]1(c2ccccc2)CCC[C@@H](O)C1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
ALDH1A1 P00352 1/20 0.76
KCNA3 P22001 18/20 0.68

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
SCHEMBL3895571 1.00 MEN1 (0.76) MEN1KMT2AALDH1A1KCNA3
SCHEMBL3895575 1.00 MEN1 (0.76) MEN1KMT2AALDH1A1KCNA3
SCHEMBL3896266 0.87 MEN1 (0.78) MEN1KMT2AALDH1A1KCNA3
SCHEMBL3900687 0.87 MEN1 (0.78) MEN1KMT2AALDH1A1KCNA3
SCHEMBL3895509 0.87 MEN1 (0.78) MEN1KMT2AALDH1A1KCNA3
SCHEMBL3455503 0.86 MEN1 (1.00) MEN1KMT2AALDH1A1KCNA3
SCHEMBL3898203 0.86 MEN1 (0.70) MEN1KMT2AALDH1A1KCNA3
SCHEMBL3898206 0.86 MEN1 (0.70) MEN1KMT2AALDH1A1KCNA3
SCHEMBL3898201 0.86 MEN1 (0.70) MEN1KMT2AALDH1A1KCNA3
SCHEMBL3904049 0.85 MEN1 (0.97) MEN1KMT2AALDH1A1KCNA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143965-B1 CARBOCYCLIC POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
US-6632836-B1 To treat autoimmune disorders, cardiac arrhythmias and the like MERCK & CO., INC. 2003-10-14 US disclosed
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