SCHEMBL6866770

SCHEMBL6866770

NCC[C@H]1CCc2nc(N)sc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.50
DRD3 P35462 5/20 0.50
HRH2 P25021 2/20 0.50
ADRA2A P08913 2/20 0.50
DRD4 P21917 2/20 0.50
ADRB2 P07550 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
HTR1B P28222 1/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
HTR2B P41595 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL28098769 0.91 DRD2 (0.53) DRD2DRD3HRH2ADRA2ADRD4
SCHEMBL4425041 0.87 DRD2 (0.52) DRD2DRD3HRH2ADRA2ADRD4
SCHEMBL5810245 0.86 DRD2 (0.59) DRD2DRD3HRH2ADRA2ADRD4
SCHEMBL5810241 0.86 DRD2 (0.59) DRD2DRD3HRH2ADRA2ADRD4
SCHEMBL5810238 0.86 DRD2 (0.59) DRD2DRD3HRH2ADRA2ADRD4
Bromide SCHEMBL4429410 0.85 DRD2 (0.51) DRD2DRD3HRH2ADRA2ADRD4
Hydrochloric Acid SCHEMBL5809870 0.84 ADRA2A (0.60) DRD2DRD3HRH2ADRA2ADRD4
Hydrochloric Acid SCHEMBL5809875 0.84 ADRA2A (0.60) DRD2DRD3HRH2ADRA2ADRD4
Hydrochloric Acid SCHEMBL28039363 0.84 ADRA2A (0.60) DRD2DRD3HRH2ADRA2ADRD4
Hydrochloric Acid SCHEMBL5809871 0.84 ADRA2A (0.60) DRD2DRD3HRH2ADRA2ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011021214-A2 IMPROVED PROCESS FOR THE PREPARATION OF (S)-2-AMINO-4,5,6,7-TETRAHYDRO-6 - (PROPYLAMINO) BENZOTHIAZOLE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2011-02-24 WO disclosed