SCHEMBL5774661

SCHEMBL5774661

Clc1ccc(N2CCN(CCCc3c4c(nn3-c3ccccc3)CCCC4)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.56
HTR2C P28335 5/20 0.52
DRD4 P21917 4/20 0.52
DRD3 P35462 9/20 0.48
DRD2 P14416 8/20 0.48
HTR1A P08908 6/20 0.48
HTR2A P28223 5/20 0.48
TMEM97 Q5BJF2 3/20 0.48
DRD1 P21728 5/20 0.47
SLC6A4 P31645 3/20 0.47
HTR7 P34969 3/20 0.47
HRH1 P35367 2/20 0.46
SLC6A2 P23975 2/20 0.45
DRD5 P21918 2/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.44

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
SCHEMBL5773069 0.96 SIGMAR1 (0.51) SIGMAR1HTR2CDRD4DRD3DRD2
SCHEMBL5773880 0.91 DRD2 (0.57) SIGMAR1HTR2CDRD4DRD3DRD2
SCHEMBL7959948 0.90 SIGMAR1 (0.48) SIGMAR1HTR2CDRD4DRD3DRD2
SCHEMBL5771329 0.87 SIGMAR1 (0.48) SIGMAR1HTR2CDRD4DRD3DRD2
SCHEMBL5776291 0.85 SIGMAR1 (0.51) SIGMAR1HTR2CDRD4DRD3DRD2
SCHEMBL5775204 0.82 SIGMAR1 (0.52) SIGMAR1HTR2CDRD4DRD3DRD2
SCHEMBL5777813 0.77 DRD2 (0.53) SIGMAR1HTR2CDRD4DRD3DRD2
Fumaric Acid SCHEMBL7959573 0.76 SIGMAR1 (0.49) SIGMAR1HTR2CDRD4DRD3DRD2
Maleic Acid SCHEMBL7959572 0.76 SIGMAR1 (0.49) SIGMAR1HTR2CDRD4DRD3DRD2
SCHEMBL5776790 0.75 MAPT (0.45) SIGMAR1DRD4DRD3DRD2HTR7

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