SCHEMBL286799

SCHEMBL286799

CC(O)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 16/20 0.74
KCNH2 Q12809 15/20 0.74
HRH3 Q9Y5N1 1/20 0.65
SIGMAR1 Q99720 1/20 0.60
MAOA P21397 1/20 0.54
HTR2A P28223 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
SCHEMBL2731306 0.85 KCNJ1 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL2733183 0.85 KCNJ1 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL3526680 0.83 KCNJ1 (0.87) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL5763269 0.81 KCNJ1 (0.84) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL286800 0.81 KCNJ1 (0.84) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL16868790 0.81 KCNJ1 (0.63) KCNJ1KCNH2HRH3SIGMAR1HTR2A
SCHEMBL287051 0.81 KCNJ1 (0.68) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL10233961 0.80 KCNJ1 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL286837 0.80 KCNJ1 (0.73) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL15205659 0.80 KCNJ1 (0.68) KCNJ1KCNH2HRH3SIGMAR1MAOA

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-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP claimed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO claimed