SCHEMBL3908804

SCHEMBL3908804

COC(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 19/20 1.00
MEN1 O00255 1/20 0.72
ALDH1A1 P00352 1/20 0.72
KMT2A Q03164 1/20 0.72

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
SCHEMBL3908798 1.00 KCNA3 (1.00) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3901584 0.92 KCNA3 (1.00) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3901579 0.92 KCNA3 (1.00) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3897433 0.91 KCNA3 (1.00) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3897431 0.91 KCNA3 (1.00) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3908275 0.90 KCNA3 (0.85) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3897843 0.90 KCNA3 (1.00) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3908270 0.90 KCNA3 (0.85) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3897846 0.90 KCNA3 (1.00) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL14516894 0.89 KCNA3 (0.80) KCNA3MEN1ALDH1A1KMT2A

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