SCHEMBL9014877

SCHEMBL9014877

COc1cccnc1N1CCN(CCCCOc2cnc3c(n2)CCCC3)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.52
DRD3 P35462 6/20 0.52
DRD4 P21917 2/20 0.52
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
HTR7 P34969 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 2/20 0.42
ABCB1 P08183 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL9014886 0.86 DRD3 (0.46) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL9014896 0.83 HSD11B1 (0.49) DRD2HTR1AHTR2A
SCHEMBL9014712 0.83 DRD2 (0.57) DRD2DRD4HTR1AHTR2AHTR7
SCHEMBL9014893 0.82 HRH3 (0.50) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL9014651 0.82 HTR1A (0.43) DRD2HTR1AHTR2A
SCHEMBL9014904 0.81 HRH3 (0.49) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL9014815 0.80 KCNH2 (0.55) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL9014676 0.80 HTR1A (0.47) DRD3HTR1ASLC6A2SLC6A4ABCB1
SCHEMBL9014817 0.80 HTR1A (0.52) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL9014858 0.79 KCNH2 (0.57) DRD2DRD3DRD4HTR1AHTR2A

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