SCHEMBL29951871

SCHEMBL29951871

CC(C)CN(CCC=O)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.34
SLC6A4 P31645 14/20 0.34
HTR1D P28221 1/20 0.33
SLC6A3 Q01959 9/20 0.33
PIK3CD O00329 2/20 0.32
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 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
SCHEMBL29952650 0.82 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3PIK3CDADH1C
SCHEMBL29955016 0.78 ADH1A (0.37) ADH1CADH1AADH4
SCHEMBL23733657 0.76 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3PIK3CD
SCHEMBL29954588 0.76 DRD3 (0.43) ADH1CADH1AADH4
SCHEMBL9289972 0.75 HTR1D (0.43) SLC6A2SLC6A4HTR1DSLC6A3PIK3CD
SCHEMBL29957860 0.73 ADH1A (0.46) ADH1CADH1AADH4
SCHEMBL29956936 0.72
SCHEMBL27268272 0.72 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3PIK3CD
SCHEMBL29955052 0.72 SLC6A2 (0.33) SLC6A2SLC6A4PIK3CDADH1CADH1A
SCHEMBL29958626 0.71 ADH1A (0.47) ADH1CADH1AADH4

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