SCHEMBL5774589

SCHEMBL5774589

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.48
DRD2 P14416 9/20 0.48
HTR2A P28223 8/20 0.48
DRD3 P35462 8/20 0.48
SIGMAR1 Q99720 6/20 0.48
TMEM97 Q5BJF2 4/20 0.48
DRD1 P21728 4/20 0.48
DRD5 P21918 4/20 0.48
HRH1 P35367 4/20 0.47
HTR2C P28335 2/20 0.47
DRD4 P21917 2/20 0.43
SLC6A4 P31645 1/20 0.43
PARP1 P09874 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41

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) DRD2DRD3SIGMAR1HRH1DRD4
SCHEMBL5776291 0.89 SIGMAR1 (0.51) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL5775204 0.88 SIGMAR1 (0.52) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL5771935 0.85 DRD4 (0.46) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL7959948 0.85 SIGMAR1 (0.48) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL5773880 0.84 DRD2 (0.57) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL5777813 0.81 DRD2 (0.53) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL7959986 0.81 HTR1A (0.51) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL5770572 0.80 HTR1A (0.50) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL5774541 0.78 HTR1A (0.49) HTR1ADRD2HTR2ADRD3SIGMAR1

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