SCHEMBL29952650

SCHEMBL29952650

CC(C)CN(CC=O)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.37
SLC6A4 P31645 15/20 0.37
PIK3CD O00329 2/20 0.35
SLC6A3 Q01959 9/20 0.35
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32

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
SCHEMBL29951871 0.82 SLC6A2 (0.34) SLC6A2SLC6A4PIK3CDSLC6A3ADH1C
SCHEMBL23733657 0.81 SLC6A2 (0.43) SLC6A2SLC6A4PIK3CDSLC6A3
SCHEMBL824136 0.75 SLC6A2 (0.40) SLC6A2SLC6A4PIK3CDSLC6A3
SCHEMBL23469783 0.75
SCHEMBL26767657 0.74 SLC6A2 (0.42) SLC6A2SLC6A4PIK3CDSLC6A3
SCHEMBL26161807 0.74 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL9289972 0.71 HTR1D (0.43) SLC6A2SLC6A4PIK3CDSLC6A3
SCHEMBL29952129 0.71 ADH1A (0.45) ADH1CADH1A
SCHEMBL2481382 0.70 ADH1C (0.40) SLC6A2SLC6A4PIK3CDSLC6A3ADH1B
SCHEMBL9281011 0.70 SLC6A2 (0.37) SLC6A2SLC6A4PIK3CDSLC6A3

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed