SCHEMBL8073592

SCHEMBL8073592

C=C(C)OCCCN(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
BCHE P06276 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2C P18825 1/20 0.38
HRH2 P25021 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL8071568 0.86 MEN1 (0.43) CHRM2CHRM4CHRM1CHRM3SCN1A
SCHEMBL346151 0.80 TSHR (0.59) CHRM2CHRM4CHRM1CHRM3SCN1A
SCHEMBL24219867 0.79 CYP2D6 (0.39) CHRM2CHRM4CHRM1CHRM3SCN1A
SCHEMBL611273 0.78 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3SCN1A
SCHEMBL611933 0.78 ALDH1A1 (0.58) CHRM2CHRM4CHRM1CHRM3SCN1A
SCHEMBL8071555 0.77 GAA (0.41) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL438116 0.77 SCN1A (0.39) CHRM2CHRM4CHRM1CHRM3SCN1A
SCHEMBL27889743 0.76 TSHR (0.54) CHRM2CHRM4CHRM1CHRM3SCN1A
SCHEMBL8399137 0.76 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3SCN1A
SCHEMBL6139633 0.75 TSHR (0.44) CYP3A4ALDH1A1POLBTSHR

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-6033819-A FIXABLE COMPONENT HAS A MICRO PHASE SEPARATION STRUCTURE OF A LIQUID CONTINUOUS PHASE AND A DISPERSE PHASE CONTAINING A RESIN AND HAVING A GLASS TRANSITION TEMPERATURE OF NOT HIGHER THAN 20 DEGREES, CONTAINING A BLOCK OR GRAFT POLYMER FUJI XEROX CO., LTD. (JP) 2000-03-07 US disclosed