SCHEMBL2733641

SCHEMBL2733641

N#Cc1cc(-n2cnnn2)ccc1CC(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 20/20 0.54
KCNH2 Q12809 9/20 0.52

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
SCHEMBL2732328 0.88 KCNJ1 (0.53) KCNJ1KCNH2
SCHEMBL15192799 0.85 KCNJ1 (0.51) KCNJ1KCNH2
SCHEMBL15824652 0.84 KMT2A (0.46) KCNJ1KCNH2
SCHEMBL2732692 0.78 KCNH2 (0.63) KCNJ1KCNH2
SCHEMBL4549579 0.77 KCNH2 (0.80) KCNJ1KCNH2
SCHEMBL15191837 0.77 KMT2A (0.55) KCNJ1KCNH2
SCHEMBL2731496 0.76 KCNJ1 (0.42) KCNJ1KCNH2
SCHEMBL15191714 0.75 KCNH2 (0.60) KCNJ1KCNH2
SCHEMBL2732275 0.74 KCNH2 (0.57) KCNJ1KCNH2
SCHEMBL4549658 0.70 KCNH2 (0.74) KCNJ1KCNH2

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-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed