SCHEMBL16682188

SCHEMBL16682188

CCC1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CCN1CCc1ccc2nonc2c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 18/20 0.72
KCNH2 Q12809 11/20 0.72
SLC6A4 P31645 1/20 0.49

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
SCHEMBL15196838 0.90 KCNJ1 (0.74) KCNJ1KCNH2SLC6A4
SCHEMBL4549644 0.87 KCNJ1 (0.72) KCNJ1KCNH2SLC6A4
SCHEMBL4549645 0.86 KCNJ1 (0.71) KCNJ1KCNH2SLC6A4
SCHEMBL2731436 0.84 KCNJ1 (1.00) KCNJ1KCNH2SLC6A4
SCHEMBL4549629 0.81 KCNJ1 (0.72) KCNJ1KCNH2SLC6A4
SCHEMBL15191673 0.80 KCNJ1 (0.91) KCNJ1KCNH2SLC6A4
SCHEMBL16682186 0.78 KCNH2 (0.59) KCNJ1KCNH2SLC6A4
SCHEMBL4549631 0.77 KCNJ1 (0.72) KCNJ1KCNH2SLC6A4
SCHEMBL2728757 0.76 KCNJ1 (0.70) KCNJ1KCNH2SLC6A4
SCHEMBL14785921 0.76 KCNH2 (0.73) KCNJ1KCNH2SLC6A4

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-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed