SCHEMBL3956320

SCHEMBL3956320

CC(C)(C)OC(=O)ON1CCC[C@H]1CN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.32
EPHX1 P07099 1/20 0.32
CTSK P43235 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DPP4 P27487 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA5 P30532 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL3952875 1.00 HTT (0.35) HTTMEN1ALDH1A1MAPTKMT2A
SCHEMBL1396828 0.86 POLB (0.42) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL1526816 0.82 POLB (0.38) HPGDEPHX1CTSKPOLBL3MBTL1
SCHEMBL28068309 0.81 HTT (0.37) HTTPOLBL3MBTL1DPP4
SCHEMBL27993431 0.81 HTT (0.37) HTTPOLBL3MBTL1DPP4
SCHEMBL29286313 0.81 HTT (0.37) HTTPOLBL3MBTL1DPP4
SCHEMBL1397021 0.80 MEN1 (0.32) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL3441947 0.79 HPGD (0.35) HPGDHSD17B10EPHX1PREP
SCHEMBL28836804 0.79 L3MBTL1 (0.35) HTTALDH1A1POLBL3MBTL1DPP4
SCHEMBL8455130 0.78 HPGD (0.36) MEN1ALDH1A1MAPTKMT2AHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018386-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 EP disclosed
WO-2007115930-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed