SCHEMBL8697189

SCHEMBL8697189

COc1ccc(C(OC2CC3CCC(C2)N3C)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.81
DRD3 P35462 2/20 0.81
CHRM2 P08172 1/20 0.81
CHRM4 P08173 1/20 0.81
CHRM5 P08912 1/20 0.81
ADRA2A P08913 1/20 0.81
CHRM1 P11229 1/20 0.81
ADRA2B P18089 1/20 0.81
ADRA2C P18825 1/20 0.81
CHRM3 P20309 1/20 0.81
DRD1 P21728 1/20 0.81
SLC6A2 P23975 1/20 0.81
HRH2 P25021 1/20 0.81
ADRA1D P25100 1/20 0.81
HTR2A P28223 1/20 0.81
HTR2C P28335 1/20 0.81
SLC6A4 P31645 1/20 0.81
ADRA1A P35348 1/20 0.81
HRH1 P35367 1/20 0.81
OPRM1 P35372 1/20 0.81

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
Benztropine SCHEMBL8659140 0.90 DRD2 (1.00) DRD2DRD3CHRM2CHRM4CHRM5
Benztropine SCHEMBL35388 0.90 DRD2 (1.00) DRD2DRD3CHRM2CHRM4CHRM5
Benztropine SCHEMBL5960155 0.90 DRD2 (1.00) DRD2DRD3CHRM2CHRM4CHRM5
Benztropine SCHEMBL35390 0.90 DRD2 (1.00) DRD2DRD3CHRM2CHRM4CHRM5
Benztropine SCHEMBL35389 0.90 DRD2 (1.00) DRD2DRD3CHRM2CHRM4CHRM5
Benztropine SCHEMBL4152475 0.88 DRD2 (0.97) DRD2DRD3CHRM2CHRM4CHRM5
SCHEMBL8697606 0.84 DRD2 (0.83) DRD2DRD3CHRM2CHRM4CHRM5
SCHEMBL2615299 0.84 CHRM1 (0.89) DRD2DRD3CHRM2CHRM4CHRM5
Clobenztropine SCHEMBL1152891 0.84 DRD3 (1.00) DRD2DRD3CHRM2CHRM4CHRM5
Clobenztropine SCHEMBL137213 0.84 DRD3 (1.00) DRD2DRD3CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792775-A HIGH AFFINITY FOR DOPAMINE TRANSPORTER; INHIBIT DOPAMINE UPTAKE; DO NOT HAVE A COCAINE-LIKE BEHAVORIAL PROFILE; USED TO IMAGE BINDING SITES; DIAGNOSIS AND MONITORING OF NEURODEGENERATIVE DISEASES, E.G PARKINSON'S THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-08-11 US disclosed