SCHEMBL5771935

SCHEMBL5771935

CC(=O)n1nc2c(c1CCCN1CCN(c3ccc(F)cc3)CC1)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.46
SLC6A4 P31645 2/20 0.46
DRD2 P14416 6/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR1A P08908 6/20 0.43
HTR2A P28223 5/20 0.43
DRD3 P35462 5/20 0.43
TMEM97 Q5BJF2 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
DRD1 P21728 2/20 0.43
DRD5 P21918 1/20 0.43
HTR2C P28335 3/20 0.43
HRH1 P35367 3/20 0.43
CHRM1 P11229 1/20 0.42
HTR2B P41595 1/20 0.42
HTR6 P50406 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SLC27A1 Q6PCB7 3/20 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
SCHEMBL5770572 0.87 HTR1A (0.50) DRD4SLC6A4DRD2HTR1AHTR2A
SCHEMBL5774589 0.85 HTR1A (0.48) DRD4SLC6A4DRD2HTR1AHTR2A
SCHEMBL5776218 0.83 DRD4 (0.49) DRD4SLC6A4DRD2LMNAALDH1A1
SCHEMBL7959948 0.80 SIGMAR1 (0.48) DRD4SLC6A4DRD2HTR1AHTR2A
SCHEMBL5773880 0.79 DRD2 (0.57) DRD4SLC6A4DRD2HTR1AHTR2A
SCHEMBL5777813 0.76 DRD2 (0.53) DRD4SLC6A4DRD2LMNAHTR1A
SCHEMBL5774541 0.76 HTR1A (0.49) DRD4SLC6A4DRD2HTR1AHTR2A
SCHEMBL5776790 0.76 MAPT (0.45) DRD4DRD2ALDH1A1NPSR1DRD3
SCHEMBL7957427 0.75 DRD2 (0.46) DRD4SLC6A4DRD2LMNAALDH1A1
SCHEMBL5776291 0.75 SIGMAR1 (0.51) DRD4SLC6A4DRD2HTR1AHTR2A

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