SCHEMBL5772376

SCHEMBL5772376

Fc1ccc(N2CCN(CCCc3[nH]nc4c3COCC4)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.43
DRD2 P14416 7/20 0.43
DRD3 P35462 7/20 0.43
HTR2A P28223 6/20 0.43
DRD1 P21728 4/20 0.43
TMEM97 Q5BJF2 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
DRD5 P21918 3/20 0.43
PARP1 P09874 2/20 0.42
TLR9 Q9NR96 1/20 0.41
DRD4 P21917 3/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 1/20 0.41
HRH1 P35367 2/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL5775621 0.89 SIGMAR1 (0.48) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL5773122 0.89 MAPT (0.42) HTR1ASIGMAR1TLR9DRD4HTR7
SCHEMBL5771894 0.89 SIGMAR1 (0.49) HTR1ADRD2DRD3HTR2ATMEM97
SCHEMBL5774541 0.84 HTR1A (0.49) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL7960754 0.84 HTR1A (0.48) HTR1ADRD2DRD3HTR2ADRD1
Hydrochloric Acid SCHEMBL5772589 0.84 HTR1A (0.48) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL5771879 0.83 DRD2 (0.45) HTR1ADRD2DRD3HTR2ADRD1
Hydrochloric Acid SCHEMBL5775839 0.83 HTR1A (0.45) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL5774579 0.81 HTR1A (0.54) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL5771928 0.81 DRD2 (0.43) HTR1ADRD2DRD3HTR2ADRD1

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 6 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 claimed
US-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US claimed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP claimed
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