SCHEMBL5777813

SCHEMBL5777813

Fc1ccc(N2CCN(CCCc3c4c(nn3-c3ccccn3)CCCC4)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.53
DRD3 P35462 9/20 0.53
HTR1A P08908 7/20 0.53
HTR2A P28223 7/20 0.53
DRD4 P21917 6/20 0.53
HTR7 P34969 5/20 0.53
DRD1 P21728 4/20 0.53
DRD5 P21918 4/20 0.53
HRH1 P35367 4/20 0.53
ADRA2C P18825 3/20 0.53
KCNH2 Q12809 1/20 0.47
SIGMAR1 Q99720 6/20 0.46
TMEM97 Q5BJF2 4/20 0.46
HTR2C P28335 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL5771329 0.91 SIGMAR1 (0.48) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL7959948 0.87 SIGMAR1 (0.48) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL5773880 0.82 DRD2 (0.57) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL5774589 0.81 HTR1A (0.48) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL5774661 0.77 SIGMAR1 (0.56) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL5770572 0.77 HTR1A (0.50) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL5773069 0.77 SIGMAR1 (0.51) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL5771935 0.76 DRD4 (0.46) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL5775204 0.74 SIGMAR1 (0.52) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL7959679 0.72 DRD3 (0.49) DRD2DRD3HTR1AHTR2ADRD4

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