SCHEMBL4691859

SCHEMBL4691859

COc1ccc2c(=O)n(C)c(CN3CCC(C(=O)O)CC3)c(-c3ccccc3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.60
KCNH2 Q12809 2/20 0.60
MAPK8 P45983 2/20 0.48
DPP4 P27487 4/20 0.47
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ACHE P22303 6/20 0.42
BCHE P06276 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SLC2A1 P11166 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL4691718 0.89 KCNA5 (0.64) KCNA5KCNH2MAPK8DPP4ALDH1A1
SCHEMBL4685933 0.86 KCNA5 (0.67) KCNA5KCNH2MAPK8DPP4ALDH1A1
SCHEMBL4685230 0.86 KCNA5 (0.59) KCNA5KCNH2MAPK8ACHEMAPT
SCHEMBL4688398 0.79 KCNA5 (0.64) KCNA5KCNH2MAPK8DPP4ALDH1A1
SCHEMBL1381998 0.79 KCNA5 (0.76) KCNA5KCNH2MAPK8DPP4ALDH1A1
SCHEMBL2903883 0.77 KCNA5 (0.66) KCNA5KCNH2MAPK8DPP4ALDH1A1
SCHEMBL1382996 0.77 KCNA5 (0.76) KCNA5KCNH2MAPK8DPP4ALDH1A1
SCHEMBL3115349 0.77 KCNA5 (0.76) KCNA5KCNH2MAPK8DPP4ALDH1A1
SCHEMBL4685992 0.77 KCNA5 (0.76) KCNA5KCNH2MAPK8DPP4
SCHEMBL2904903 0.77 KCNA5 (0.76) KCNA5KCNH2MAPK8DPP4ALDH1A1

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-1322619-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-01-23 EP disclosed
US-6870055-B2 Isoquinolinone potassium channels inhibitors MERCK & CO., INC. (US) 2005-03-22 US disclosed