SCHEMBL8920041

SCHEMBL8920041

NCC=CCOc1cc(CN2CCCC2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.50
PRMT6 Q96LA8 1/20 0.42
CXCR4 P61073 1/20 0.40
LOX P28300 2/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
HRH3 Q9Y5N1 3/20 0.37
TLR7 Q9NYK1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTT P42858 1/20 0.36
SLC6A4 P31645 1/20 0.36
KDR P35968 1/20 0.36
AOC3 Q16853 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8920035 1.00 ADRA2C (0.50) ADRA2CPRMT6CXCR4LOXLOXL2
SCHEMBL8078636 0.99 ADRA2C (0.52) ADRA2CPRMT6CXCR4LOXLOXL2
SCHEMBL8078640 0.99 ADRA2C (0.52) ADRA2CPRMT6CXCR4LOXLOXL2
SCHEMBL31364155 0.86 ADRA2C (0.54) ADRA2CCXCR4HRH3ALDH1A1SMN1; SMN2
SCHEMBL31620020 0.86 ADRA2C (0.54) ADRA2CCXCR4HRH3ALDH1A1SMN1; SMN2
SCHEMBL8078658 0.82 ADRA2C (0.55) ADRA2CCXCR4HRH3TLR7ALDH1A1
SCHEMBL8078667 0.82 ADRA2C (0.55) ADRA2CCXCR4HRH3TLR7ALDH1A1
SCHEMBL11059721 0.80 HRH3 (0.47) ADRA2CPRMT6CXCR4LOXLOXL2
SCHEMBL9412103 0.79 ADRA2C (0.64) ADRA2CHRH3ALDH1A1POLB
SCHEMBL9412104 0.79 ADRA2C (0.64) ADRA2CHRH3ALDH1A1POLB

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-5616579-A ADMINISTERING TO MAMMALS TO PREVENT GASTRIC ULCER SANKYO COMPANY, LIMITED (JP) 1997-04-01 US disclosed