SCHEMBL4549679

SCHEMBL4549679

C=C1OCc2c1ccc(C(CN1CCN(C(=O)Cc3ccc(-n4cnnn4)nc3)CC1)OC)c2C

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 16/20 0.72
KCNH2 Q12809 14/20 0.72

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
SCHEMBL10286720 0.93 KCNJ1 (0.84) KCNJ1KCNH2
SCHEMBL4549677 0.86 KCNJ1 (0.82) KCNJ1KCNH2
SCHEMBL4549680 0.84 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL4549681 0.83 KCNH2 (1.00) KCNJ1KCNH2
SCHEMBL4549676 0.83 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL4549673 0.82 KCNJ1 (0.82) KCNJ1KCNH2
SCHEMBL15196956 0.82 KCNJ1 (0.67) KCNJ1KCNH2
SCHEMBL4549272 0.76 KCNH2 (1.00) KCNJ1KCNH2
SCHEMBL15196955 0.75 KCNJ1 (0.65) KCNJ1KCNH2
SCHEMBL14785684 0.75 KCNH2 (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed