SCHEMBL5776790

SCHEMBL5776790

Cc1ccc(N2CCN(CCCc3c4c(nn3C)CCCC4)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
ADRA2A P08913 1/20 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
HTR7 P34969 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

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
SCHEMBL5774589 0.90 HTR1A (0.48) SIGMAR1HRH1DRD2DRD4DRD3
SCHEMBL5776291 0.90 SIGMAR1 (0.51) KDM4EHTR7SIGMAR1HRH1DRD2
SCHEMBL5775204 0.89 SIGMAR1 (0.52) HTR7SIGMAR1HRH1KCNH2DRD2
SCHEMBL7957403 0.80 MAPT (0.46) MAPTNPSR1ADRA1DADRA1AADRA1B
SCHEMBL5775439 0.79 MAPT (0.45) MAPTNPSR1SLC27A1ADRA1DADRA1A
SCHEMBL7963959 0.78 MAPT (0.44) MAPTNPSR1SLC27A1ADRA1DADRA1A
SCHEMBL5773069 0.78 SIGMAR1 (0.51) KDM4EHTR7SIGMAR1HRH1DRD2
SCHEMBL5775029 0.78 MAPT (0.44) MAPTNPSR1SLC27A1ADRA1DADRA1A
SCHEMBL7964122 0.77 MAPT (0.45) MAPTNPSR1SLC27A1ADRA2AALDH1A1
SCHEMBL5771935 0.76 DRD4 (0.46) MAPTNPSR1SLC27A1ALDH1A1KDM4E

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