SCHEMBL9725832

SCHEMBL9725832

CC(CN(C)C)C(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.59
SLC6A4 P31645 6/20 0.59
SLC6A3 Q01959 6/20 0.59
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
KCNH2 Q12809 1/20 0.49
AOC3 Q16853 7/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ADRA2A P08913 1/20 0.46
ADRA2C P18825 1/20 0.46
LMNA P02545 1/20 0.46
HIF1A Q16665 1/20 0.46

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 0.87 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL9683219 0.87 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL12570043 0.74 KDM4E (0.58) SLC6A2SLC6A4SLC6A3HTR2AKDM4E
SCHEMBL12512543 0.74 KDM4E (0.58) SLC6A2SLC6A4SLC6A3HTR2AKDM4E
SCHEMBL12512553 0.74 KDM4E (0.58) SLC6A2SLC6A4SLC6A3HTR2AKDM4E
SCHEMBL10209754 0.74 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL11392282 0.73 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL13487978 0.73 LMNA (0.54) SLC6A2SLC6A4SLC6A3HTR2AKDM4E
SCHEMBL804251 0.72 AOC3 (0.70) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL907809 0.72 AOC3 (0.70) SLC6A2SLC6A4SLC6A3HTR2AHRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4226948-A None JP disclosed
JP-H04226948-A CHIRAL SYNTHESIS OF 1-ARYL-3-AMINOPROPANE-1-OL ELI LILLY & CO 1992-08-17 JP disclosed