SCHEMBL5775439

SCHEMBL5775439

Cc1ccc(N2CCN(CCCc3[nH]nc4c3CCCC4)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SLC27A1 Q6PCB7 1/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR7 P34969 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
HRH1 P35367 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL5775029 0.99 MAPT (0.44) MAPTNPSR1SLC27A1ADRA1DADRA1A
SCHEMBL7964122 0.98 MAPT (0.45) MAPTNPSR1SLC27A1HTR7ALDH1A1
Maleic Acid SCHEMBL5770880 0.91 SLC27A1 (0.41) MAPTNPSR1SLC27A1ADRA1DADRA1A
Fumaric Acid SCHEMBL5770886 0.91 SLC27A1 (0.41) MAPTNPSR1SLC27A1ADRA1DADRA1A
SCHEMBL5772229 0.88 SIGMAR1 (0.52) HTR7KDM4ESIGMAR1HRH1DRD2
SCHEMBL5774541 0.88 HTR1A (0.49) SIGMAR1HRH1DRD2DRD4DRD3
SCHEMBL5772832 0.88 SIGMAR1 (0.53) HTR7SIGMAR1HRH1KCNH2DRD2
Hydrochloric Acid SCHEMBL5772589 0.87 HTR1A (0.48) ADRA1DADRA1AADRA1BSIGMAR1HRH1
SCHEMBL5776696 0.87 SIGMAR1 (0.51) HTR7KDM4ESIGMAR1HRH1DRD2
SCHEMBL7960754 0.87 HTR1A (0.48) SLC27A1SIGMAR1HRH1DRD2DRD4

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 5 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 claimed
US-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US claimed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP claimed
EP-0885883-B1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF MITSUBISHI PHARMA CORP (JP) 2006-11-02 EP disclosed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed