SCHEMBL4590524

SCHEMBL4590524

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCCCN1CCN(c2cccc3sccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.53
DRD2 P14416 10/20 0.51
HTR2A P28223 9/20 0.51
DRD3 P35462 2/20 0.49
FAAH O00519 1/20 0.49
ADRA1A P35348 2/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL4589842 0.86 HTR1A (0.51) HTR1ADRD2HTR2ADRD3FAAH
SCHEMBL4574004 0.78 DRD2 (0.61) HTR1ADRD2HTR2ADRD3FAAH
SCHEMBL24684577 0.78 DRD2 (0.53) HTR1ADRD2HTR2ADRD3HTR2C
SCHEMBL4574561 0.77 DRD2 (0.56) HTR1ADRD2HTR2ADRD3FAAH
SCHEMBL4574186 0.77 DRD2 (0.60) HTR1ADRD2HTR2ADRD3FAAH
SCHEMBL4624803 0.76 DRD2 (0.58) HTR1ADRD2HTR2ADRD3FAAH
SCHEMBL29433199 0.72 DRD2 (0.75) HTR1ADRD2HTR2AADRA1AHTR2C
SCHEMBL29799389 0.72 DRD2 (0.69) HTR1ADRD2HTR2ADRD3
SCHEMBL21026351 0.72 DRD2 (0.69) HTR1ADRD2HTR2ADRD3
SCHEMBL17996847 0.72 DTYMK (0.48) HTR1ADRD2HTR2AADRA1AHTR2C

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-2008047883-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 WO disclosed