SCHEMBL5774841

SCHEMBL5774841

Clc1ccc(N2CCN(CCCc3[nH]nc4c3CCCC4)CC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.42
HTR1A P08908 4/20 0.42
DRD2 P14416 4/20 0.42
HTR2A P28223 3/20 0.42
HTR6 P50406 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
SIGMAR1 Q99720 5/20 0.40
SLC6A4 P31645 2/20 0.40
HTR2C P28335 1/20 0.40
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
SCHEMBL5772229 0.88 SIGMAR1 (0.52) HTR7HTR1ADRD2HTR2ADRD4
SCHEMBL5776696 0.87 SIGMAR1 (0.51) HTR7HTR1ADRD2HTR2ADRD4
SCHEMBL5776645 0.86 KCNH2 (0.57) HTR7HTR1ASLC6A3DRD3SIGMAR1
Hydrochloric Acid SCHEMBL5770744 0.84 SIGMAR1 (0.51) HTR7HTR1ADRD2HTR2ADRD4
SCHEMBL5776276 0.84 SIGMAR1 (0.58) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL5773754 0.84 ADRA1B (0.49) HTR1ADRD3
SCHEMBL5775439 0.83 MAPT (0.45) HTR7DRD2SLC6A2SLC6A3DRD4
SCHEMBL5774541 0.83 HTR1A (0.49) HTR1ADRD2HTR2ADRD4DRD3
SCHEMBL5772832 0.83 SIGMAR1 (0.53) HTR7HTR1ADRD2HTR2ADRD4
Hydrochloric Acid SCHEMBL5772589 0.82 HTR1A (0.48) HTR1ADRD2HTR2ADRD4DRD3

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