SCHEMBL6439455

SCHEMBL6439455

C=CCNC(=O)N1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 18/20 0.69
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
KMT2A Q03164 1/20 0.66
SLC6A9 P48067 1/20 0.61

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
SCHEMBL6437537 0.88 MEN1 (0.71) KCNA3MEN1ALDH1A1KMT2ASLC6A9
SCHEMBL6438777 0.87 MEN1 (0.72) KCNA3MEN1ALDH1A1KMT2ASLC6A9
SCHEMBL13593781 0.87 KCNA3 (0.62) KCNA3MEN1ALDH1A1KMT2ASLC6A9
SCHEMBL6439381 0.86 KCNA3 (0.68) KCNA3MEN1ALDH1A1KMT2ASLC6A9
SCHEMBL2470583 0.85 MEN1 (0.67) KCNA3MEN1ALDH1A1KMT2ASLC6A9
SCHEMBL6440287 0.85 KCNA3 (0.70) KCNA3MEN1ALDH1A1KMT2ASLC6A9
SCHEMBL6436136 0.85 MEN1 (0.75) KCNA3MEN1ALDH1A1KMT2ASLC6A9
SCHEMBL2471695 0.84 SLC6A9 (0.68) KCNA3MEN1ALDH1A1KMT2ASLC6A9
SCHEMBL6435262 0.83 MEN1 (0.72) KCNA3MEN1ALDH1A1KMT2ASLC6A9
SCHEMBL2469741 0.83 MEN1 (0.76) KCNA3MEN1ALDH1A1KMT2ASLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126849-B1 HETEROCYCLIC POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2005-03-09 EP disclosed
US-6303637-B1 FOR THERAPY OF AUTOIMMUNE DISEASE, PROPHYLAXIS OF RESISTANCE TO TRANSPLANTATION OR TRANSPLANTATION REJECTION OF ORGANS OR TISSUES; SUPPRESSING IMMUNE SYSTEM MERCK & CO., INC. 2001-10-16 US disclosed