SCHEMBL7959536

SCHEMBL7959536

Cn1nc(CCCN2CCN(c3ccc(Cl)cc3)CC2)c2c1CCCC2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.52
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
DRD2 P14416 14/20 0.51
DRD3 P35462 12/20 0.51
HTR1A P08908 8/20 0.51
HTR2A P28223 8/20 0.51
HRH1 P35367 5/20 0.51
HTR2C P28335 5/20 0.51
TMEM97 Q5BJF2 4/20 0.51
DRD1 P21728 5/20 0.49
DRD5 P21918 2/20 0.49
SLC6A4 P31645 3/20 0.47
HTR7 P34969 3/20 0.47
DRD4 P21917 5/20 0.46

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
SCHEMBL7957403 0.89 MAPT (0.46) SIGMAR1KDM4EDRD2DRD3HTR1A
SCHEMBL7959986 0.88 HTR1A (0.51) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL7959137 0.88 SIGMAR1 (0.53) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL5776291 0.81 SIGMAR1 (0.51) SIGMAR1KDM4EGAADRD2DRD3
SCHEMBL7957648 0.79 SIGMAR1 (0.52) SIGMAR1KDM4EGAADRD2DRD3
Fumaric Acid SCHEMBL7959573 0.78 SIGMAR1 (0.49) SIGMAR1DRD2DRD3HTR1AHTR2A
Maleic Acid SCHEMBL7959572 0.78 SIGMAR1 (0.49) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL7960186 0.78 HTR1A (0.54) SIGMAR1KDM4EGAADRD2DRD3
SCHEMBL7960090 0.78 HTR1A (0.54) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL7963930 0.76 SIGMAR1 (0.53) SIGMAR1DRD2DRD3HTR1AHTR2A

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-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP claimed
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