SCHEMBL5776276

SCHEMBL5776276

c1ccc2cc(N3CCN(CCCc4[nH]nc5c4CCCC5)CC3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.58
HTR7 P34969 3/20 0.45
HTR3A P46098 5/20 0.43
DRD3 P35462 2/20 0.43
HTR1A P08908 5/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
HRH1 P35367 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
DRD4 P21917 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR5A P47898 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR6 P50406 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39

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
SCHEMBL5772832 0.87 SIGMAR1 (0.53) SIGMAR1HTR7DRD3HTR1AHRH1
SCHEMBL5772457 0.85 SIGMAR1 (0.52) SIGMAR1HTR7DRD3HTR1AHRH1
SCHEMBL5776684 0.84 SIGMAR1 (0.53) SIGMAR1HTR7DRD3HTR1AHRH1
SCHEMBL5774841 0.84 HTR7 (0.42) SIGMAR1HTR7DRD3HTR1ASLC6A2
SCHEMBL5773811 0.83 KCNH2 (0.59) SIGMAR1HTR7DRD3HTR1AHRH1
SCHEMBL5776645 0.83 KCNH2 (0.57) SIGMAR1HTR7DRD3HTR1ASLC6A4
SCHEMBL5775439 0.82 MAPT (0.45) SIGMAR1HTR7DRD3SLC6A2HRH1
SCHEMBL5774541 0.82 HTR1A (0.49) SIGMAR1DRD3HTR1ASLC6A4HRH1
SCHEMBL5772229 0.82 SIGMAR1 (0.52) SIGMAR1HTR7DRD3HTR1ASLC6A4
SCHEMBL5775029 0.81 MAPT (0.44) SIGMAR1HTR7DRD3SLC6A2HRH1

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