SCHEMBL298050

SCHEMBL298050

CC(C)(C)[N+]1(C(=O)[O-])CCN(CC2OCCc3c(C#N)cccc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.36
DRD4 P21917 1/20 0.35
HTR1D P28221 1/20 0.33
NOTUM Q6P988 1/20 0.33
AR P10275 7/20 0.32
DRD2 P14416 5/20 0.31
HTR2A P28223 4/20 0.31
DRD3 P35462 4/20 0.31
SSTR4 P31391 1/20 0.30

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
SCHEMBL300048 0.80 KCNJ1 (0.35) KCNJ1DRD4HTR1DDRD2HTR2A
SCHEMBL2897011 0.80 KCNJ1 (0.42) KCNJ1DRD4HTR1DNOTUMDRD2
SCHEMBL2732158 0.78 GPR119 (0.42) KCNJ1
SCHEMBL297981 0.75 KCNJ1 (0.41) KCNJ1HTR1DDRD2HTR2A
SCHEMBL2732161 0.75 KCNJ1 (0.37) KCNJ1DRD4HTR1DNOTUMAR
SCHEMBL13028033 0.72 KCNJ1 (0.38) KCNJ1DRD4DRD2
SCHEMBL297794 0.69 DRD1 (0.43) DRD4HTR1DNOTUMDRD2
SCHEMBL2732340 0.69 GPR119 (0.40)
SCHEMBL16682216 0.68 KCNJ1 (0.44) KCNJ1
SCHEMBL19812920 0.68 SLC6A4 (0.39) DRD4NOTUM

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 disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed