SCHEMBL7959679

SCHEMBL7959679

Fc1ccc(N2CCN(CCCc3nn(-c4ccccc4)c4c3CCCC4)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.49
SIGMAR1 Q99720 5/20 0.49
DRD2 P14416 5/20 0.49
HTR1A P08908 4/20 0.49
HTR2A P28223 4/20 0.49
TMEM97 Q5BJF2 3/20 0.49
HRH1 P35367 2/20 0.49
HTR2C P28335 1/20 0.47
PARP1 P09874 1/20 0.47
DRD4 P21917 4/20 0.46
SLC6A4 P31645 2/20 0.46
SMO Q99835 1/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
HTR7 P34969 1/20 0.45
KCNH2 Q12809 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45

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
SCHEMBL7963930 0.93 SIGMAR1 (0.53) DRD3SIGMAR1DRD2HTR1AHTR2A
SCHEMBL7963943 0.89 MAPT (0.50) SIGMAR1HTR1AHTR7KCNH2
SCHEMBL7959986 0.84 HTR1A (0.51) DRD3SIGMAR1DRD2HTR1AHTR2A
Maleic Acid SCHEMBL7959572 0.83 SIGMAR1 (0.49) DRD3SIGMAR1DRD2HTR1AHTR2A
Fumaric Acid SCHEMBL7959573 0.83 SIGMAR1 (0.49) DRD3SIGMAR1DRD2HTR1AHTR2A
SCHEMBL5772655 0.82 HTR1A (0.51) DRD3SIGMAR1DRD2HTR1AHTR2A
SCHEMBL7959948 0.82 SIGMAR1 (0.48) DRD3SIGMAR1DRD2HTR1AHTR2A
SCHEMBL7959137 0.82 SIGMAR1 (0.53) DRD3SIGMAR1DRD2HTR1AHTR2A
SCHEMBL5776218 0.79 DRD4 (0.49) DRD3SIGMAR1DRD2HTR1AHTR2A
SCHEMBL7963468 0.75 DRD3 (0.48) DRD3SIGMAR1DRD2HTR1AHTR2A

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