SCHEMBL5101030

SCHEMBL5101030

c1ccc(N2CCN(CCCOc3cccc4c3CCNC4)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
DRD3 P35462 6/20 0.54
HTR1A P08908 4/20 0.54
DRD1 P21728 4/20 0.54
DRD2 P14416 3/20 0.54
HTR2A P28223 3/20 0.54
HTR7 P34969 3/20 0.54
ADRA2C P18825 1/20 0.54
DRD5 P21918 1/20 0.54
HRH1 P35367 1/20 0.54
DRD4 P21917 2/20 0.50
HTR2C P28335 2/20 0.50
SLC6A4 P31645 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL11263189 0.85 DRD3 (0.58) DRD3HTR1ADRD1DRD2HTR2A
SCHEMBL11281497 0.82 DRD3 (0.57) HRH3DRD3HTR1ADRD1DRD2
SCHEMBL14287592 0.81 HRH3 (0.82) HRH3HTR2AHTR7HRH1CD274
Hydrochloric Acid SCHEMBL5107481 0.80 HRH3 (0.80) HRH3HTR2AHTR7HRH1CD274
SCHEMBL467681 0.78 HRH3 (0.76) HRH3HTR2AHTR7CD274
SCHEMBL21743757 0.78 PLD1 (0.52)
SCHEMBL11307197 0.77 HTR7 (0.67) DRD3HTR1ADRD1DRD2HTR2A
SCHEMBL21744253 0.74 HRH3 (0.56) HRH3DRD1DRD5DRD4MAOB
SCHEMBL8083866 0.73 HTR1A (0.60) HRH3DRD3HTR1ADRD1DRD2
SCHEMBL6658901 0.72 HRH3 (1.00) HRH3HTR2AHTR7HRH1CD274

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-7314937-B2 Non-imidazole aryl alkylamines compounds as histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2008-01-01 US claimed