SCHEMBL5774579

SCHEMBL5774579

Fc1ccc(N2CCN(CCCCc3[nH]nc4c3CCCC4)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.54
DRD3 P35462 7/20 0.54
DRD2 P14416 6/20 0.54
HTR2A P28223 5/20 0.54
SIGMAR1 Q99720 3/20 0.54
DRD1 P21728 3/20 0.54
DRD5 P21918 3/20 0.54
TMEM97 Q5BJF2 2/20 0.54
HRH1 P35367 2/20 0.53
HTR2C P28335 1/20 0.53
DRD4 P21917 5/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 2/20 0.43
ADRA2C P18825 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
PARP1 P09874 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
SCHEMBL5774541 0.97 HTR1A (0.49) HTR1ADRD3DRD2HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL5772589 0.95 HTR1A (0.48) HTR1ADRD3DRD2HTR2ASIGMAR1
SCHEMBL7960754 0.95 HTR1A (0.48) HTR1ADRD3DRD2HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL5775839 0.92 HTR1A (0.45) HTR1ADRD3DRD2HTR2ASIGMAR1
SCHEMBL5775409 0.92 HTR1A (0.45) HTR1ADRD3DRD2HTR2ASIGMAR1
Maleic Acid SCHEMBL5799806 0.88 DRD4 (0.47) HTR1ADRD3DRD2HTR2ASIGMAR1
Fumaric Acid SCHEMBL5799811 0.88 DRD4 (0.47) HTR1ADRD3DRD2HTR2ASIGMAR1
SCHEMBL5775439 0.85 MAPT (0.45) DRD3DRD2SIGMAR1HRH1DRD4
SCHEMBL5772229 0.85 SIGMAR1 (0.52) HTR1ADRD3DRD2HTR2ASIGMAR1
SCHEMBL5772832 0.85 SIGMAR1 (0.53) HTR1ADRD3DRD2HTR2ASIGMAR1

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