SCHEMBL7959941

SCHEMBL7959941

CCOC(=O)CCCN1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.60
KDM4E B2RXH2 1/20 0.59
GAA P10253 1/20 0.59
DRD4 P21917 11/20 0.58
DRD2 P14416 9/20 0.58
HTR1A P08908 3/20 0.58
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
HRH1 P35367 2/20 0.58
DRD3 P35462 2/20 0.58
SOD1 P00441 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR2B P41595 1/20 0.54
HTR6 P50406 1/20 0.54
SLC6A3 Q01959 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL7949588 0.90 SLC6A4 (0.49) CACNA1GKDM4EGAADRD4DRD2
SCHEMBL10759040 0.88 DRD4 (0.47) CACNA1GKDM4EGAADRD4DRD2
SCHEMBL7957399 0.87 DRD2 (0.58) CACNA1GGAADRD4DRD2HTR1A
SCHEMBL2388474 0.87 GFER (0.52) CACNA1GKDM4EGAADRD4DRD2
SCHEMBL8160104 0.87 HTR1A (0.58) CACNA1GDRD4DRD2HTR1AHTR2A
SCHEMBL10759929 0.86 KCNH2 (0.64) CACNA1GDRD4DRD2HTR1AHTR2A
SCHEMBL460673 0.85 HRH3 (0.50) CACNA1GKDM4EGAADRD4DRD2
SCHEMBL381687 0.84 DRD2 (0.57) DRD4DRD2HTR1AHTR2ADRD3
SCHEMBL20271984 0.84 SMN1; SMN2 (0.69) KDM4EGAADRD4DRD2DRD3
Hydrochloric Acid SCHEMBL8838070 0.84 HRH3 (0.56) DRD4HTR2AHTR2CHRH1SLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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