SCHEMBL7959558

SCHEMBL7959558

Clc1ccc(N2CCN(CCCc3onc4c3CSCC4)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
DRD3 P35462 13/20 0.44
DRD2 P14416 12/20 0.44
DRD1 P21728 7/20 0.44
HTR1A P08908 6/20 0.44
HTR2A P28223 6/20 0.44
HTR2C P28335 4/20 0.44
SLC6A4 P31645 3/20 0.44
HTR7 P34969 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TMEM97 Q5BJF2 3/20 0.42
DRD5 P21918 3/20 0.42
DRD4 P21917 2/20 0.42
HRH1 P35367 2/20 0.42

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
SCHEMBL7965107 0.85 SIGMAR1 (0.51) SIGMAR1DRD3DRD2DRD1HTR1A
SCHEMBL7963539 0.84 SIGMAR1 (0.50) SIGMAR1DRD3DRD2DRD1HTR1A
Hydrochloric Acid SCHEMBL7960917 0.83 SIGMAR1 (0.49) SIGMAR1DRD3DRD2DRD1HTR1A
SCHEMBL7949134 0.82 SIGMAR1 (0.48) SIGMAR1DRD3DRD2DRD1HTR1A
SCHEMBL7964141 0.80 SIGMAR1 (0.48) SIGMAR1DRD3DRD2DRD1HTR1A
SCHEMBL7949605 0.74 DRD2 (0.48) SIGMAR1DRD3DRD2DRD1HTR1A
SCHEMBL7963959 0.74 MAPT (0.44) SIGMAR1HTR7KDM4EHRH1
SCHEMBL7959798 0.73 DRD2 (0.47) SIGMAR1DRD3DRD2DRD1HTR1A
SCHEMBL7960191 0.72 DRD2 (0.43) SIGMAR1DRD3DRD2DRD1HTR1A
SCHEMBL5771928 0.69 DRD2 (0.43) SIGMAR1DRD3DRD2DRD1HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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