SCHEMBL9014685

SCHEMBL9014685

c1ccc(N2CCN(CCCOc3cnc4c(n3)CCCC4)CC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.57
DRD2 P14416 6/20 0.57
HTR1A P08908 6/20 0.57
HTR2A P28223 6/20 0.57
HTR7 P34969 5/20 0.57
DRD1 P21728 3/20 0.57
ADRA2C P18825 2/20 0.57
DRD5 P21918 2/20 0.57
HRH1 P35367 2/20 0.57
POLB P06746 1/20 0.53
KCNH2 Q12809 1/20 0.53
HRH3 Q9Y5N1 4/20 0.52
DRD4 P21917 4/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A2 P23975 1/20 0.51
HTR2C P28335 2/20 0.51

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
SCHEMBL9014815 0.97 KCNH2 (0.55) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL9014858 0.96 KCNH2 (0.57) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL9014901 0.94 SLC6A2 (0.58) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL9014894 0.86 DRD2 (0.52) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL9014893 0.82 HRH3 (0.50) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL9014904 0.81 HRH3 (0.49) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL9014892 0.81 KCNH2 (0.56) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL9014870 0.81 HTR3E (0.45) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL9014817 0.81 HTR1A (0.52) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL9265535 0.80 KDM4E (0.44) DRD3DRD2HTR1AHTR2AHTR7

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