SCHEMBL5773040

SCHEMBL5773040

CC(=O)N1CCc2n[nH]c(CCCN3CCN(c4ccc(F)cc4)CC3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
EP300 Q09472 1/20 0.44
CREBBP Q92793 1/20 0.44
DRD4 P21917 4/20 0.43
DRD2 P14416 4/20 0.43
SLC6A4 P31645 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2A P28223 3/20 0.41
HTR1A P08908 2/20 0.41
HTR2C P28335 2/20 0.41
HRH1 P35367 2/20 0.41
DRD3 P35462 1/20 0.41
PARP1 P09874 1/20 0.41
SLC6A2 P23975 1/20 0.41

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 0.80 HTR1A (0.49) DRD4DRD2SLC6A4HTR2AHTR1A
SCHEMBL7960754 0.79 HTR1A (0.48) DRD4DRD2SLC6A4HTR2AHTR1A
Hydrochloric Acid SCHEMBL5772589 0.79 HTR1A (0.48) DRD4DRD2SLC6A4HTR2AHTR1A
Fumaric Acid SCHEMBL5799811 0.79 DRD4 (0.47) DRD4DRD2SLC6A4GAAMAPT
SCHEMBL5774031 0.79 GAA (0.47) DRD4DRD2GAAHTR2AHTR1A
Maleic Acid SCHEMBL5799806 0.79 DRD4 (0.47) DRD4DRD2SLC6A4GAAMAPT
Hydrochloric Acid SCHEMBL5775839 0.79 HTR1A (0.45) DRD4DRD2SLC6A4HTR2AHTR1A
SCHEMBL5771879 0.79 DRD2 (0.45) DRD4DRD2SLC6A4HTR2AHTR1A
SCHEMBL5774579 0.77 HTR1A (0.54) DRD4DRD2SLC6A4HTR2AHTR1A
SCHEMBL5772376 0.77 HTR1A (0.43) DRD4DRD2SLC6A4HTR2AHTR1A

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