SCHEMBL8777561

SCHEMBL8777561

CCN(CC)c1ccc(C(OCc2ccccc2)c2ccc(N(CC)CC)cc2C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.43
CNR2 P34972 5/20 0.42
S1PR1 P21453 3/20 0.40
NOX1 Q9Y5S8 1/20 0.40
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MCL1 Q07820 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
BACE1 P56817 1/20 0.36
RPS6KA2 Q15349 1/20 0.36
MAPK1 P28482 2/20 0.36
HCRTR1 O43613 1/20 0.36
CNR1 P21554 1/20 0.35
GFER P55789 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
SCHEMBL8777548 0.89 MAPK1 (0.39) S100BCNR2S1PR1NOX1MAPT
SCHEMBL8777597 0.84 BACE1 (0.42) CNR2NOX1HTTTSHRMAPT
SCHEMBL10987395 0.80 S100B (0.47) S100BCNR2S1PR1HTTTSHR
SCHEMBL8777686 0.79 S100B (0.53) S100BS1PR1HTTTSHRMAPT
SCHEMBL8777531 0.78 CYP2D6 (0.43) CNR2NOX1MAPTALDH1A1CYP3A4
SCHEMBL8184415 0.78 S100B (0.46) S100BCNR2S1PR1HTTTSHR
SCHEMBL8777612 0.77 S100B (0.51) S100BS1PR1HTTTSHRMAPT
SCHEMBL5011777 0.77 TSHR (0.56) S100BCNR2S1PR1HTTTSHR
SCHEMBL8777563 0.77 NOX1 (0.40) CNR2NOX1TSHRMAPTNPY1R
SCHEMBL8777652 0.75 CNR2 (0.44) S100BCNR2S1PR1TSHRCNR1

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