SCHEMBL28074497

SCHEMBL28074497

CC(O)C1CC1(CNC(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 18/20 0.42
SLC6A4 P31645 17/20 0.42
CCR2 P41597 2/20 0.42
SLC6A2 P23975 2/20 0.41

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
SCHEMBL13698146 0.84 DRD2 (0.39) SLC6A3SLC6A4CCR2SLC6A2
SCHEMBL19261800 0.84 DRD2 (0.39) SLC6A3SLC6A4CCR2SLC6A2
SCHEMBL16214787 0.84 DRD2 (0.39) SLC6A3SLC6A4CCR2SLC6A2
SCHEMBL4191008 0.84 DRD2 (0.39) SLC6A3SLC6A4CCR2SLC6A2
SCHEMBL4877808 0.79 SLC6A3 (0.52) SLC6A3SLC6A4CCR2SLC6A2
SCHEMBL3523200 0.75 SLC6A4 (0.73) SLC6A3SLC6A4SLC6A2
SCHEMBL3521459 0.66 SLC6A3 (0.76) SLC6A3SLC6A4CCR2SLC6A2
SCHEMBL14255652 0.65 SLC6A3 (0.48) SLC6A3SLC6A4
SCHEMBL8208823 0.65 SLC6A3 (0.48) SLC6A3SLC6A4
SCHEMBL22917996 0.65 SLC6A3 (0.48) SLC6A3SLC6A4

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-104059013-B 1-aryl-3-azabicyclo [3.1.0] hexane: its preparation method and for treating the purposes of neuropsychiatric disorders 尤西米克斯生物科学公司 2016-06-22 CN disclosed