SCHEMBL9014651

SCHEMBL9014651

NC(=O)c1cccnc1N1CCN(CCCCOc2cnc3c(n2)CCCC3)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.43
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HRH3 Q9Y5N1 4/20 0.40
MAOB P27338 3/20 0.39

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 0.83 DRD3 (0.46) HTR1ADRD2HTR2AHRH3
SCHEMBL9014877 0.82 DRD2 (0.52) HTR1ADRD2HTR2A
SCHEMBL9014896 0.81 HSD11B1 (0.49) HTR1ADRD2HTR2A
SCHEMBL9014712 0.81 DRD2 (0.57) HTR1ADRD2HTR2A
SCHEMBL9014893 0.79 HRH3 (0.50) HTR1ADRD2HTR2AHRH3
SCHEMBL9014904 0.78 HRH3 (0.49) HTR1ADRD2HTR2AHRH3MAOB
SCHEMBL9014815 0.78 KCNH2 (0.55) HTR1ADRD2HTR2AHRH3MAOB
SCHEMBL9014858 0.77 KCNH2 (0.57) HTR1ADRD2HTR2AHRH3MAOB
SCHEMBL9014894 0.76 DRD2 (0.52) HTR1ADRD2HTR2AHRH3
SCHEMBL9014685 0.74 DRD3 (0.57) HTR1ADRD2HTR2AHRH3

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