SCHEMBL9014901

SCHEMBL9014901

c1ccc(N2CCN(CCOc3cnc4c(n3)CCCC4)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.58
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 1/20 0.50
HTR1A P08908 5/20 0.49
DRD2 P14416 4/20 0.49
DRD3 P35462 4/20 0.49
DRD1 P21728 3/20 0.49
HTR2A P28223 3/20 0.49
HTR7 P34969 3/20 0.49
ADRA2C P18825 2/20 0.49
DRD5 P21918 2/20 0.49
HRH1 P35367 2/20 0.49
POLB P06746 1/20 0.48
KCNH2 Q12809 1/20 0.48
DRD4 P21917 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
SLC27A1 Q6PCB7 1/20 0.45

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
SCHEMBL9014685 0.94 DRD3 (0.57) SLC6A2SLC6A4HTR1ADRD2DRD3
SCHEMBL9014815 0.93 KCNH2 (0.55) SLC6A2SLC6A4HTR1ADRD2DRD3
SCHEMBL9014858 0.92 KCNH2 (0.57) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL9014695 0.85 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR1ADRD2
SCHEMBL9014894 0.80 DRD2 (0.52) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL9014893 0.79 HRH3 (0.50) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL9014870 0.78 HTR3E (0.45) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL9014892 0.78 KCNH2 (0.56) HTR1ADRD2DRD3HTR2AHTR7
SCHEMBL9014904 0.78 HRH3 (0.49) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL9014817 0.77 HTR1A (0.52) HTR1ADRD2DRD3HTR2AHTR7

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-5578596-A TREATMENT OF SEROTONERGIC NEURON RELATED DISEASES, MOTION SICKNESS, ANXIXETY, DEPRESSION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-11-26 US disclosed
EP-0668276-A1 2-ALKOXY-5,6,7,8-TETRAHYDROQUINOXALINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-08-23 EP disclosed