SCHEMBL4549298

SCHEMBL4549298

O=C1OCc2cc([C@@H](O)CN3CCN(C(=O)C4CCc5cc(-n6cnnn6)ccc54)CC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 11/20 0.55
KCNH2 Q12809 7/20 0.50
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
SCHEMBL15196893 0.86 KCNJ1 (0.67) KCNJ1KCNH2
SCHEMBL4549290 0.86 KCNJ1 (0.67) KCNJ1KCNH2
SCHEMBL15196848 0.85 KCNH2 (0.69) KCNJ1KCNH2SLC6A4
SCHEMBL15196725 0.81 KCNJ1 (0.67) KCNJ1KCNH2
SCHEMBL14786022 0.81 KCNH2 (0.71) KCNJ1KCNH2SLC6A4
SCHEMBL4549554 0.79 KCNJ1 (0.70) KCNJ1KCNH2SLC6A4
SCHEMBL4549543 0.78 KCNJ1 (0.66) KCNJ1KCNH2
SCHEMBL15832569 0.76 KCNJ1 (0.90) KCNJ1KCNH2
SCHEMBL15832568 0.76 KCNJ1 (0.90) KCNJ1KCNH2
SCHEMBL2732309 0.76 KCNH2 (0.74) 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
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed