SCHEMBL5776291

SCHEMBL5776291

Cn1nc2c(c1CCCN1CCN(c3ccc(Cl)cc3)CC1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.51
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
DRD2 P14416 13/20 0.48
DRD3 P35462 9/20 0.48
HTR1A P08908 5/20 0.48
HTR2A P28223 5/20 0.48
DRD1 P21728 5/20 0.48
TMEM97 Q5BJF2 3/20 0.48
DRD5 P21918 2/20 0.48
HTR2C P28335 3/20 0.47
HRH1 P35367 2/20 0.47
DRD4 P21917 7/20 0.45
SLC6A4 P31645 2/20 0.45
HTR7 P34969 2/20 0.45

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
SCHEMBL5776790 0.90 MAPT (0.45) SIGMAR1KDM4EDRD2DRD3HRH1
SCHEMBL5774589 0.89 HTR1A (0.48) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL5773069 0.89 SIGMAR1 (0.51) SIGMAR1KDM4EGAADRD2DRD3
SCHEMBL5775204 0.88 SIGMAR1 (0.52) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL5774661 0.85 SIGMAR1 (0.56) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL5773880 0.84 DRD2 (0.57) SIGMAR1KDM4EGAADRD2DRD3
SCHEMBL5771329 0.81 SIGMAR1 (0.48) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL7959536 0.81 SIGMAR1 (0.52) SIGMAR1KDM4EGAADRD2DRD3
SCHEMBL5772229 0.78 SIGMAR1 (0.52) SIGMAR1KDM4EGAADRD2DRD3
SCHEMBL7965107 0.77 SIGMAR1 (0.51) SIGMAR1KDM4EGAADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885883-B1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF MITSUBISHI PHARMA CORP (JP) 2006-11-02 EP disclosed
US-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed