SCHEMBL5773880

SCHEMBL5773880

Fc1ccc(N2CCN(CCCc3c4c(nn3-c3ccc(Cl)cc3)CCCC4)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.57
DRD3 P35462 10/20 0.57
HTR1A P08908 8/20 0.57
HTR2A P28223 8/20 0.57
SIGMAR1 Q99720 7/20 0.57
TMEM97 Q5BJF2 5/20 0.57
DRD1 P21728 5/20 0.57
DRD5 P21918 3/20 0.57
HRH1 P35367 5/20 0.56
HTR2C P28335 4/20 0.56
MAPT P10636 2/20 0.49
DRD4 P21917 3/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
CHRM1 P11229 1/20 0.48
HTR2B P41595 1/20 0.48
HTR6 P50406 1/20 0.48
CACNA1G O43497 1/20 0.46
SLC6A2 P23975 1/20 0.45
TP53 P04637 1/20 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
SCHEMBL5773069 0.95 SIGMAR1 (0.51) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL5774661 0.91 SIGMAR1 (0.56) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL7959948 0.91 SIGMAR1 (0.48) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL5776291 0.84 SIGMAR1 (0.51) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL5774589 0.84 HTR1A (0.48) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL5771329 0.82 SIGMAR1 (0.48) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL5777813 0.82 DRD2 (0.53) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL5771935 0.79 DRD4 (0.46) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL5770572 0.76 HTR1A (0.50) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL5772229 0.74 SIGMAR1 (0.52) DRD2DRD3HTR1AHTR2ASIGMAR1

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