SCHEMBL5080359

SCHEMBL5080359

CCCCN1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc(OC)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
HTR1A P08908 2/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
HTR2A P28223 1/20 0.43
DRD3 P35462 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD4 P21917 1/20 0.43
HTT P42858 1/20 0.40

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
Hydrochloric Acid SCHEMBL9397509 0.99 DRD2 (0.44) DRD2HTR1ADRD1DRD5HTR2A
Hydrochloric Acid SCHEMBL9397515 0.99 DRD2 (0.44) DRD2HTR1ADRD1DRD5HTR2A
Hydrochloric Acid SCHEMBL9397514 0.99 DRD2 (0.44) DRD2HTR1ADRD1DRD5HTR2A
SCHEMBL5083196 0.97 HTT (0.44) DRD2HTR1ADRD1DRD5HTR2A
SCHEMBL5083179 0.97 HTT (0.44) DRD2HTR1ADRD1DRD5HTR2A
SCHEMBL5083190 0.97 HTT (0.44) DRD2HTR1ADRD1DRD5HTR2A
Hydrochloric Acid SCHEMBL1152994 0.96 HTT (0.43) DRD2HTR1ADRD1DRD5HTR2A
Hydrochloric Acid SCHEMBL1152990 0.96 HTT (0.43) DRD2HTR1ADRD1DRD5HTR2A
SCHEMBL5141567 0.96 HTR1A (0.44) DRD2HTR1ADRD1DRD5HTR2A
Hydrochloric Acid SCHEMBL1152993 0.96 HTT (0.43) DRD2HTR1ADRD1DRD5HTR2A

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
WO-2008133884-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-11-06 WO disclosed