SCHEMBL8777531

SCHEMBL8777531

Cc1cc(N(C)C)ccc1C(OCc1ccccc1)c1ccc(N(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2B P18089 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
HRH2 P25021 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL8777548 0.92 MAPK1 (0.39) CYP2D6SLC22A2SLC22A1GRIN2DGRIN3B
SCHEMBL1446635 0.84 MAPK1 (0.51) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL8777555 0.81 MAPK1 (0.42) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL1832191 0.80 MAPK1 (0.48) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL8777561 0.78 S100B (0.43) CYP3A4MAPK1NPSR1ALDH1A1MAPT
SCHEMBL8777673 0.78 SLC2A1 (0.40) CYP2D6SLC22A2SLC22A1GRIN2DGRIN3B
SCHEMBL8777642 0.77 TDP1 (0.41) MAPK1POLBNPSR1ALDH1A1MAPT
SCHEMBL8777670 0.77 MAPK1 (0.38) MAPK1POLBNPSR1ALDH1A1MAPT
SCHEMBL8777640 0.77 SLC2A1 (0.42) CYP2D6SLC22A2SLC22A1GRIN2DGRIN3B
SCHEMBL8777746 0.75 S100B (0.42) CYP2D6SLC22A2SLC22A1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587184-B1 Pressure sensitive recording materials NEW OJI PAPER CO LTD (JP) 1997-12-29 EP disclosed
US-5478793-A Basic dye-containing layer and color accetpor-containing layer formed on same or different surfaces; basic dye enclosed in synthetic polymer microcapsules, color acceptor is activated clay containing silica KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-12-26 US disclosed
EP-0587184-A2 Pressure sensitive recording materials NEW OJI PAPER CO., LTD. (JP) 1994-03-16 EP disclosed