SCHEMBL4688398

SCHEMBL4688398

COc1ccc2c(=O)n(C)c(CN3C(C)CCCC3C)c(-c3ccccc3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.64
KCNH2 Q12809 2/20 0.64
DPP4 P27487 4/20 0.49
MAPK8 P45983 3/20 0.46
TACR1 P25103 4/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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 0.84 KCNA5 (0.64) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL4685933 0.82 KCNA5 (0.67) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL4691859 0.79 KCNA5 (0.60) KCNA5KCNH2DPP4MAPK8KDM4E
SCHEMBL1381998 0.79 KCNA5 (0.76) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL2904903 0.79 KCNA5 (0.76) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL3115349 0.79 KCNA5 (0.76) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL14303480 0.79 KCNA5 (0.76) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL4685992 0.79 KCNA5 (0.76) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL1382996 0.79 KCNA5 (0.76) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL4685230 0.79 KCNA5 (0.59) KCNA5KCNH2MAPK8

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