SCHEMBL18040892

SCHEMBL18040892

CCc1c(CCC2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)ccc2c1COC2=O

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 19/20 0.83
KCNJ1 P48048 13/20 0.78
SLC6A4 P31645 1/20 0.54

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
SCHEMBL14790188 0.91 KCNH2 (1.00) KCNH2KCNJ1
SCHEMBL14790715 0.89 KCNH2 (0.83) KCNH2KCNJ1SLC6A4
SCHEMBL14790420 0.89 KCNH2 (0.83) KCNH2KCNJ1SLC6A4
SCHEMBL4549601 0.88 KCNH2 (1.00) KCNH2KCNJ1SLC6A4
SCHEMBL14790700 0.82 KCNH2 (1.00) KCNH2KCNJ1SLC6A4
SCHEMBL4549287 0.82 KCNH2 (0.90) KCNH2KCNJ1SLC6A4
SCHEMBL14785779 0.79 KCNH2 (0.86) KCNH2KCNJ1SLC6A4
SCHEMBL4549594 0.78 KCNH2 (1.00) KCNH2KCNJ1SLC6A4
SCHEMBL4549583 0.78 KCNH2 (1.00) KCNH2KCNJ1SLC6A4
SCHEMBL14786579 0.77 KCNH2 (0.71) KCNH2KCNJ1SLC6A4

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-2755656-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-07 EP claimed