SCHEMBL7981746

SCHEMBL7981746

O=C(NCCCCN1CCN(c2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.55
HTR1A P08908 7/20 0.55
HTR2A P28223 7/20 0.55
DRD2 P14416 9/20 0.52
DRD4 P21917 2/20 0.51
HTR2C P28335 2/20 0.50
KCNH2 Q12809 2/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
ADRA1B P35368 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
Hydrochloric Acid SCHEMBL7989888 0.99 DRD3 (0.54) DRD3HTR1AHTR2ADRD2DRD4
SCHEMBL7986288 0.97 DRD3 (0.51) DRD3HTR1AHTR2ADRD2DRD4
Hydrochloric Acid SCHEMBL7983890 0.96 DRD3 (0.50) DRD3HTR1AHTR2ADRD2DRD4
SCHEMBL7986218 0.89 DRD3 (0.48) DRD3HTR1AHTR2ADRD2DRD4
Hydrochloric Acid SCHEMBL7983764 0.89 DRD3 (0.47) DRD3HTR1AHTR2ADRD2DRD4
SCHEMBL7989648 0.88 SIGMAR1 (0.44) DRD3HTR1AHTR2ADRD2DRD4
Hydrochloric Acid SCHEMBL7972066 0.87 SIGMAR1 (0.43) DRD3HTR1AHTR2ADRD2DRD4
SCHEMBL7986609 0.86 DRD3 (0.44) DRD3
SCHEMBL7985583 0.86 ALDH1A1 (0.43) DRD4
SCHEMBL7982974 0.86 ADRA1D (0.42) DRD3HTR1AHTR2ADRD2DRD4

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
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed