SCHEMBL7959948

SCHEMBL7959948

Fc1ccc(N2CCN(CCCc3c4c(nn3-c3ccccc3)CCCC4)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.48
DRD3 P35462 6/20 0.48
DRD2 P14416 5/20 0.48
HTR1A P08908 4/20 0.48
HTR2A P28223 4/20 0.48
TMEM97 Q5BJF2 3/20 0.48
HRH1 P35367 2/20 0.48
PARP1 P09874 1/20 0.46
SMO Q99835 1/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
DRD4 P21917 4/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
HTR2C P28335 1/20 0.44
KCNH2 Q12809 1/20 0.44
SLC6A4 P31645 3/20 0.44
MPO P05164 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
SCHEMBL5773880 0.91 DRD2 (0.57) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL5774661 0.90 SIGMAR1 (0.56) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL5777813 0.87 DRD2 (0.53) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL5773069 0.85 SIGMAR1 (0.51) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL5774589 0.85 HTR1A (0.48) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL5770572 0.82 HTR1A (0.50) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL5775204 0.82 SIGMAR1 (0.52) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL7959679 0.82 DRD3 (0.49) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL5771935 0.80 DRD4 (0.46) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL5771329 0.77 SIGMAR1 (0.48) SIGMAR1DRD3DRD2HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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