SCHEMBL4589842

SCHEMBL4589842

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.51
DRD2 P14416 11/20 0.51
HTR2A P28223 11/20 0.51
FAAH O00519 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2C P28335 1/20 0.47
ADRA1A P35348 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
SCHEMBL4590524 0.86 HTR1A (0.53) HTR1ADRD2HTR2AFAAHDRD3
SCHEMBL4574004 0.84 DRD2 (0.61) HTR1ADRD2HTR2AFAAHDRD3
SCHEMBL4574186 0.83 DRD2 (0.60) HTR1ADRD2HTR2AFAAHDRD3
SCHEMBL4574561 0.77 DRD2 (0.56) HTR1ADRD2HTR2AFAAHDRD3
SCHEMBL4624803 0.76 DRD2 (0.58) HTR1ADRD2HTR2AFAAHDRD3
SCHEMBL4575061 0.73 DRD2 (0.61) HTR1ADRD2HTR2AFAAHDRD3
SCHEMBL29433199 0.72 DRD2 (0.75) HTR1ADRD2HTR2AHTR2CADRA1A
SCHEMBL4574935 0.72 DRD2 (0.58) HTR1ADRD2HTR2AHTR2CADRA1A
SCHEMBL4574007 0.71 DRD2 (0.61) HTR1ADRD2HTR2AHTR2CADRA1A
SCHEMBL294229 0.71 DRD2 (0.66) HTR1ADRD2HTR2ADRD3HTR2C

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