SCHEMBL28898650

SCHEMBL28898650

O=CC1CCC(c2ccc(Br)cc2)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.56
SLC6A4 P31645 5/20 0.56
SLC6A3 Q01959 5/20 0.56
PTAFR P25105 2/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD1 P21728 1/20 0.34
KDM1A O60341 4/20 0.33
KCNH2 Q12809 2/20 0.33
MAOB P27338 2/20 0.33
RCOR1 Q9UKL0 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDM1B Q8NB78 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL25354888 0.82 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3PTAFRDRD1
SCHEMBL28898662 0.82 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL28898661 0.81 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3MAOB
SCHEMBL28898685 0.78 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3PTAFRNPC1
SCHEMBL28463514 0.72 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3PTAFRGAA
SCHEMBL28412359 0.72 MAOB (0.35) PTAFRMEN1KMT2AKDM1AMAOB
SCHEMBL25356284 0.72 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3PTAFRMEN1
SCHEMBL2689197 0.71 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3DRD1HTR2C
SCHEMBL25354698 0.70 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3PTAFRDRD1
SCHEMBL28801266 0.70 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3MEN1NPC1

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
CN-115385877-A Dihydrofuran-2-ketone compound and preparation method thereof 嘉兴学院 2022-11-25 CN disclosed