SCHEMBL5774031

SCHEMBL5774031

Fc1ccc(N2CCN(CCCc3[nH]nc4c3CN(Cc3ccccc3)CC4)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SIGMAR1 Q99720 7/20 0.47
CLPP Q16740 1/20 0.46
PARP1 P09874 1/20 0.46
HTR1A P08908 3/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
HTR2A P28223 2/20 0.44
TMEM97 Q5BJF2 2/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
HRH1 P35367 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD4 P21917 1/20 0.42
CFTR P13569 1/20 0.42

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
SCHEMBL7957466 0.91 SIGMAR1 (0.58) L3MBTL1SIGMAR1CLPPHTR1ADRD2
SCHEMBL5774541 0.80 HTR1A (0.49) SIGMAR1PARP1HTR1ADRD2DRD3
SCHEMBL7960754 0.79 HTR1A (0.48) SIGMAR1PARP1HTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL5772589 0.79 HTR1A (0.48) SIGMAR1PARP1HTR1ADRD2DRD3
SCHEMBL5773040 0.79 MAPK1 (0.46) GAAPARP1HTR1ADRD2DRD3
SCHEMBL5771879 0.79 DRD2 (0.45) SIGMAR1PARP1HTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL5775839 0.79 HTR1A (0.45) SIGMAR1PARP1HTR1ADRD2DRD3
SCHEMBL5774579 0.77 HTR1A (0.54) SIGMAR1PARP1HTR1ADRD2DRD3
SCHEMBL5771928 0.77 DRD2 (0.43) SIGMAR1PARP1HTR1ADRD2DRD3
SCHEMBL5772376 0.77 HTR1A (0.43) SIGMAR1PARP1HTR1ADRD2DRD3

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