SCHEMBL6148402

SCHEMBL6148402

CC(=O)N1CCN(CCC2C3CN(CC(O)COc4ccc(C#N)cc4)CC(CN2C(=O)O)O3)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
POLB P06746 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39
GLA P06280 1/20 0.38
KCNA5 P22460 1/20 0.38
HTR7 P34969 1/20 0.37

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
SCHEMBL6150682 0.88 KCNA5 (0.48) KCNH2MEN1KCNA5
SCHEMBL6148397 0.87 KCNH2 (0.53) KCNH2POLBL3MBTL1MEN1KMT2A
SCHEMBL2964372 0.84 KCNH2 (0.63) KCNH2POLBL3MBTL1MEN1KMT2A
SCHEMBL2963414 0.80 KCNH2 (0.56) KCNH2POLBL3MBTL1MEN1KMT2A
SCHEMBL6094254 0.80 POLB (0.54) KCNH2POLBL3MBTL1MEN1KMT2A
SCHEMBL6094259 0.80 POLB (0.54) KCNH2POLBL3MBTL1MEN1KMT2A
SCHEMBL6146890 0.80 CCR3 (0.37) KCNH2MEN1KMT2AHTR7
SCHEMBL2964698 0.77 KCNH2 (0.64) KCNH2POLBL3MBTL1MEN1KMT2A
SCHEMBL6151398 0.77 KCNH2 (0.64) KCNH2POLBL3MBTL1MEN1KMT2A
SCHEMBL6097129 0.76 POLB (0.50) KCNH2POLBL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 EP claimed