SCHEMBL6462147

SCHEMBL6462147

[AsH2]CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.68
DRD3 P35462 3/20 0.68
SLC6A2 P23975 2/20 0.68
CHRM2 P08172 1/20 0.68
CHRM4 P08173 1/20 0.68
CHRM5 P08912 1/20 0.68
ADRA2A P08913 1/20 0.68
CHRM1 P11229 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
CHRM3 P20309 1/20 0.68
DRD1 P21728 1/20 0.68
HRH2 P25021 1/20 0.68
ADRA1D P25100 1/20 0.68
HTR2A P28223 1/20 0.68
HTR2C P28335 1/20 0.68
SLC6A4 P31645 1/20 0.68
ADRA1A P35348 1/20 0.68
HRH1 P35367 1/20 0.68
OPRM1 P35372 1/20 0.68

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
Ethybenztropine SCHEMBL29690837 0.85 DRD2 (0.72) DRD2DRD3SLC6A2CHRM2CHRM4
Ethybenztropine SCHEMBL250681 0.85 DRD2 (0.72) DRD2DRD3SLC6A2CHRM2CHRM4
Ethybenztropine SCHEMBL250682 0.85 DRD2 (0.72) DRD2DRD3SLC6A2CHRM2CHRM4
Ethybenztropine SCHEMBL1649586 0.85 DRD2 (0.72) DRD2DRD3SLC6A2CHRM2CHRM4
SCHEMBL466916 0.85 DRD2 (0.68) DRD2DRD3SLC6A2CHRM2CHRM4
SCHEMBL11395839 0.82 SLC6A3 (0.76) DRD2DRD3SLC6A2CHRM2CHRM4
SCHEMBL11399038 0.81 DRD2 (0.62) DRD2DRD3SLC6A2CHRM2CHRM4
Benztropine SCHEMBL35388 0.81 DRD2 (1.00) DRD2DRD3SLC6A2CHRM2CHRM4
Benztropine SCHEMBL5960155 0.81 DRD2 (1.00) DRD2DRD3SLC6A2CHRM2CHRM4
Benztropine SCHEMBL8659140 0.81 DRD2 (1.00) DRD2DRD3SLC6A2CHRM2CHRM4

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-1494664-A2 COMBINATIONS OF COX-2 INHIBITORS AND OTHER AGENTS FOR THE TREATMENT OF PARKINSON'S DISEASE Pharmacia Corporation (US) 2005-01-12 EP disclosed
WO-2003088958-A2 COMBINATIONS OF COX-2 INHIBITORS AND OTHER AGENTS FOR THE TREATMENT OF PARKINSON’S DISEASE PHARMACIA CORPORATION (US) 2003-10-30 WO disclosed