SCHEMBL8777540

SCHEMBL8777540

CCCCN(CCCC)c1ccc(C(OCC)c2ccc(N(C)C)cc2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2B P18089 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 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
SCHEMBL8777651 0.92 CYP2D6 (0.40) GAACYP2D6KCNH2SLC22A2SLC22A1
SCHEMBL8777667 0.90 S100B (0.38) GAACYP2D6KCNH2SLC22A2SLC22A1
SCHEMBL8777681 0.90 GAA (0.37) GAACYP2D6KCNH2SLC22A2SLC22A1
SCHEMBL8777739 0.89 GAA (0.36) GAACYP2D6KCNH2SLC22A2SLC22A1
SCHEMBL8777746 0.87 S100B (0.42) GAACYP2D6KCNH2SLC22A2SLC22A1
SCHEMBL8777687 0.87 GAA (0.35) GAAMAPTPKMHTTMCL1
SCHEMBL8777671 0.87 RXRA (0.37) GAAMEN1KMT2ACNR2SLC16A3
SCHEMBL8777601 0.86 SLC16A3 (0.40) GAANPSR1MAPTMEN1KMT2A
SCHEMBL8777680 0.85 GAA (0.36) GAANPSR1MAPTPKMHTT
SCHEMBL8777766 0.82 SLC16A3 (0.41) GAANPSR1MAPTMEN1KMT2A

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