SCHEMBL5772440

SCHEMBL5772440

[O-][S+]1CCc2n[nH]c(CCCN3CCN(c4ccc(F)cc4)CC3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.42
HTR1A P08908 8/20 0.42
HTR2A P28223 8/20 0.42
DRD3 P35462 8/20 0.42
TMEM97 Q5BJF2 4/20 0.42
SIGMAR1 Q99720 4/20 0.42
DRD1 P21728 3/20 0.42
DRD5 P21918 3/20 0.42
PARP1 P09874 2/20 0.41
HRH1 P35367 5/20 0.39
HTR2C P28335 3/20 0.39
PARP2 Q9UGN5 1/20 0.39
DRD4 P21917 2/20 0.38
SLC6A4 P31645 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
HRH2 P25021 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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 0.83 HTR1A (0.49) DRD2HTR1AHTR2ADRD3TMEM97
Hydrochloric Acid SCHEMBL5772589 0.82 HTR1A (0.48) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL7960754 0.82 HTR1A (0.48) DRD2HTR1AHTR2ADRD3TMEM97
Hydrochloric Acid SCHEMBL5775839 0.81 HTR1A (0.45) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL5771879 0.81 DRD2 (0.45) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL5774579 0.80 HTR1A (0.54) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL5772376 0.79 HTR1A (0.43) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL5771928 0.79 DRD2 (0.43) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL5775409 0.76 HTR1A (0.45) DRD2HTR1AHTR2ADRD3TMEM97
Fumaric Acid SCHEMBL5799811 0.75 DRD4 (0.47) DRD2HTR1AHTR2ADRD3TMEM97

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