SCHEMBL5776753

SCHEMBL5776753

Cc1ccc(N2CCN(CCCc3[nH]nc4c3CSCC4)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BCHE P06276 1/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
HTR7 P34969 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
ADRA2A P08913 1/20 0.36
KCNH2 Q12809 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7964141 0.89 SIGMAR1 (0.48) HTR7SIGMAR1DRD2DRD4DRD3
SCHEMBL5771928 0.89 DRD2 (0.43) SIGMAR1DRD2DRD4DRD3SLC6A4
SCHEMBL8563591 0.89 SIGMAR1 (0.49) HTR7SIGMAR1DRD2DRD4DRD3
SCHEMBL5775439 0.84 MAPT (0.45) MAPTNPSR1HTR7SLC6A2SLC6A3
SCHEMBL7964122 0.84 MAPT (0.45) MAPTNPSR1HTR7SLC6A2SLC6A3
SCHEMBL5775029 0.84 MAPT (0.44) MAPTNPSR1HTR7SLC6A2SLC6A3
SCHEMBL5773122 0.81 MAPT (0.42) MAPTNPSR1TNKSTNKS2HTR7
Maleic Acid SCHEMBL5770880 0.77 SLC27A1 (0.41) MAPTNPSR1HTR7SLC6A2DRD2
Fumaric Acid SCHEMBL5770886 0.77 SLC27A1 (0.41) MAPTNPSR1HTR7SLC6A2DRD2
SCHEMBL5774541 0.73 HTR1A (0.49) SIGMAR1DRD2DRD4DRD3SLC6A4

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