SCHEMBL29957217

SCHEMBL29957217

CCCCN(CC=O)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.48
ADH1C P00326 3/20 0.48
ADH4 P08319 1/20 0.48
TSHR P16473 2/20 0.36
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
DRD3 P35462 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
DRD2 P14416 1/20 0.31
HTR1A P08908 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
SCHEMBL29952129 0.87 ADH1A (0.45) ADH1AADH1CADH4DRD3DRD2
SCHEMBL29957860 0.84 ADH1A (0.46) ADH1AADH1CADH4TSHRKMT2A
SCHEMBL3376484 0.82 ADH1C (0.43) ADH1AADH1CADH4KMT2ASLC6A2
SCHEMBL10416391 0.82 ADH1C (0.43) ADH1AADH1CADH4KMT2ASLC6A2
SCHEMBL6968171 0.78 ADH1C (0.38) ADH1AADH1CADH4KMT2ASLC6A2
SCHEMBL23469783 0.78
SCHEMBL3373689 0.78 ADH1C (0.41) ADH1AADH1CADH4KMT2ASLC6A2
SCHEMBL3374356 0.78 DRD3 (0.44) ADH1AADH1CADH4DRD3DRD2
SCHEMBL29951598 0.75 SLC6A4 (0.44) ADH1AADH1CADH4SLC6A2SLC6A4
SCHEMBL6962213 0.74 ADH1C (0.38) ADH1AADH1CADH4KMT2ASLC6A2

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