SCHEMBL7268771

SCHEMBL7268771

Nc1nc(-c2ccccc2)c(CCN2CCN(c3ccccn3)CC2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
DRD4 P21917 11/20 0.53
DRD2 P14416 10/20 0.53
DRD3 P35462 10/20 0.53
HTR1A P08908 4/20 0.53
HTR2A P28223 4/20 0.53
HTR7 P34969 4/20 0.53
KCNH2 Q12809 1/20 0.52
HTR2C P28335 2/20 0.52
ADRA2C P18825 2/20 0.52
DRD1 P21728 2/20 0.52
HRH1 P35367 2/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
SLC6A2 P23975 1/20 0.52
ADRA1D P25100 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
HTR1E P28566 1/20 0.52
ADRA1A P35348 1/20 0.52

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
SCHEMBL10332753 0.85 DRD4 (0.53) POLBDRD4DRD2DRD3HTR1A
SCHEMBL7270765 0.83 HTR1A (0.55) POLBDRD4DRD2DRD3HTR1A
SCHEMBL10332839 0.81 POLB (0.59) POLBDRD4DRD2DRD3HTR1A
SCHEMBL7277915 0.80 CACNA1G (0.48) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL7275861 0.80 MAPT (0.55) DRD2DRD3HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL9870939 0.78 HTR2A (0.53) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL7268941 0.78 HSD17B10 (0.51) POLBDRD2DRD3HTR1AHTR2A
SCHEMBL7268869 0.78 SIGMAR1 (0.58) DRD3HTR1AHTR7KCNH2DRD1
SCHEMBL7270512 0.76 DRD2 (0.46) DRD4DRD2DRD3HTR1AHTR2A
Cadaverine Tartrate SCHEMBL9871896 0.76 HTR1A (0.47) DRD4DRD2DRD3HTR1AHTR2A

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
EP-0409048-A2 Aminoalkyl substituted 2-aminothiazoles and medicines containing them BASF Aktiengesellschaft (DE) 1991-01-23 EP disclosed