SCHEMBL3901602

SCHEMBL3901602

COc1ccccc1C(=O)NCC1(c2ccccc2)CCC(=CC(=O)Nc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 18/20 0.69
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 1/20 0.67

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
SCHEMBL3908721 0.89 KCNA3 (0.76) KCNA3MEN1KMT2AALDH1A1
SCHEMBL3900639 0.88 KCNA3 (0.74) KCNA3MEN1KMT2AALDH1A1
SCHEMBL3900558 0.87 KCNA3 (0.68) KCNA3MEN1KMT2AALDH1A1
SCHEMBL13939545 0.84 KCNA3 (0.74) KCNA3MEN1KMT2AALDH1A1
SCHEMBL3905028 0.83 KCNA3 (0.68) KCNA3MEN1KMT2AALDH1A1
SCHEMBL1946359 0.82 KCNA3 (1.00) KCNA3MEN1KMT2AALDH1A1
SCHEMBL31685209 0.82 KCNA3 (1.00) KCNA3MEN1KMT2AALDH1A1
SCHEMBL3897406 0.81 KCNA3 (0.81) KCNA3MEN1KMT2AALDH1A1
SCHEMBL3455503 0.81 MEN1 (1.00) KCNA3MEN1KMT2AALDH1A1
SCHEMBL6437618 0.80 MEN1 (0.80) KCNA3MEN1KMT2AALDH1A1

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