SCHEMBL9683219

SCHEMBL9683219

C[C@@H](CN(C)C)[C@H](O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.65
SLC6A4 P31645 6/20 0.65
SLC6A3 Q01959 6/20 0.65
HTR2A P28223 1/20 0.57
HRH1 P35367 1/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
AOC3 Q16853 6/20 0.53
KCNH2 Q12809 1/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ADRA2A P08913 1/20 0.50
ADRA2C P18825 1/20 0.50
LMNA P02545 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL6107257 1.00 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL9725832 0.87 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL11392282 0.85 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL10209754 0.78 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL14388207 0.77 AOC3 (0.58) SLC6A2SLC6A4SLC6A3HTR2AKDM4E
SCHEMBL2736648 0.77 KDM4E (0.57) SLC6A2SLC6A4SLC6A3HTR2AKDM4E
SCHEMBL10255083 0.77 AOC3 (0.58) SLC6A2SLC6A4SLC6A3HTR2AKDM4E
SCHEMBL359794 0.77 KDM4E (0.57) SLC6A2SLC6A4SLC6A3HTR2AKDM4E
SCHEMBL4186259 0.77 KDM4E (0.57) SLC6A2SLC6A4SLC6A3HTR2AKDM4E
SCHEMBL4828396 0.77 AOC3 (0.58) SLC6A2SLC6A4SLC6A3HTR2AKDM4E

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-5132457-A Stereospecific synthesis of 2(R)-2-methyl-3-dimethylamino-propiophenone (d-DAMP) MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1992-07-21 US disclosed