SCHEMBL8105789

SCHEMBL8105789

CCOC(c1ccccc1)c1ccccc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.64
CHRM2 P08172 2/20 0.64
CHRM4 P08173 2/20 0.64
CHRM5 P08912 2/20 0.64
ADRA2A P08913 2/20 0.64
CHRM1 P11229 2/20 0.64
ADRA2B P18089 2/20 0.64
CHRM3 P20309 2/20 0.64
SLC6A2 P23975 2/20 0.64
HRH2 P25021 2/20 0.64
HTR2A P28223 2/20 0.64
HTR2C P28335 2/20 0.64
SLC6A4 P31645 2/20 0.64
ADRA1A P35348 2/20 0.64
HRH1 P35367 2/20 0.64
OPRM1 P35372 2/20 0.64
DRD3 P35462 2/20 0.64
HTR2B P41595 2/20 0.64
HTR6 P50406 2/20 0.64
SLC6A3 Q01959 2/20 0.64

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
SCHEMBL12270467 0.89 CYP2D6 (0.53) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL14134795 0.89 CYP2D6 (0.53) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL4667597 0.87 CYP2D6 (0.76) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL3992907 0.82 SCN1A (0.55) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL25375446 0.81 CYP2D6 (0.68) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL4669319 0.81 CYP2D6 (0.68) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL5268174 0.80 ESR1 (0.75) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL27533307 0.80 IDO1 (0.49) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL1956043 0.80 TSHR (0.48) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL9292047 0.80 CYP2D6 (0.57) CYP2D6CHRM2CHRM4CHRM5ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983222-A1 PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CEREBRAL AMYLOIDOSIS NYMOX CORPORATION (CA) 2000-03-08 EP disclosed
WO-1998052898-A1 PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CEREBRAL AMYLOIDOSIS NYMOX CORPORATION (CA) 1998-11-26 WO disclosed