SCHEMBL5776218

SCHEMBL5776218

CC(=O)n1nc(CCCN2CCN(c3ccc(F)cc3)CC2)c2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.49
SLC6A4 P31645 2/20 0.49
DRD2 P14416 6/20 0.46
HTR1A P08908 5/20 0.46
HTR2A P28223 5/20 0.46
DRD3 P35462 5/20 0.46
TMEM97 Q5BJF2 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
HTR2C P28335 3/20 0.46
HRH1 P35367 3/20 0.46
DRD1 P21728 2/20 0.45
CHRM1 P11229 1/20 0.45
HTR2B P41595 1/20 0.45
HTR6 P50406 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DRD5 P21918 1/20 0.44
HTR7 P34969 1/20 0.44

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
SCHEMBL5772655 0.86 HTR1A (0.51) DRD4SLC6A4DRD2HTR1AHTR2A
SCHEMBL7959986 0.85 HTR1A (0.51) DRD4SLC6A4DRD2HTR1AHTR2A
SCHEMBL5771935 0.83 DRD4 (0.46) DRD4SLC6A4DRD2HTR1AHTR2A
SCHEMBL7957427 0.80 DRD2 (0.46) DRD4SLC6A4DRD2HTR1AHTR2A
SCHEMBL7959679 0.79 DRD3 (0.49) DRD4SLC6A4DRD2HTR1AHTR2A
SCHEMBL7957403 0.75 MAPT (0.46) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL7961390 0.74 HTR1A (0.51) DRD4SLC6A4DRD2HTR1AHTR2A
SCHEMBL7959536 0.74 SIGMAR1 (0.52) DRD4SLC6A4DRD2HTR1AHTR2A
SCHEMBL7959137 0.74 SIGMAR1 (0.53) DRD4DRD2HTR1AHTR2ADRD3
SCHEMBL5774589 0.73 HTR1A (0.48) 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