SCHEMBL9014870

SCHEMBL9014870

Clc1cccc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3A P46098 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
DRD3 P35462 4/20 0.45
KCNH2 Q12809 3/20 0.45
HTR1A P08908 13/20 0.40
HTR2A P28223 12/20 0.40
DRD2 P14416 11/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR2C P28335 2/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
HTR2B P41595 1/20 0.40
HTR7 P34969 1/20 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
SCHEMBL9014892 0.87 KCNH2 (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9014817 0.86 HTR1A (0.52) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL9014945 0.85 HTR1A (0.42) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL9014895 0.85 HTR1A (0.42) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL9014815 0.85 KCNH2 (0.55) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL9014874 0.85 DRD2 (0.49) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL9014858 0.84 KCNH2 (0.57) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL9265535 0.84 KDM4E (0.44) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL9014775 0.84 DRD2 (0.41) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL9014685 0.81 DRD3 (0.57) DRD3KCNH2HTR1AHTR2ADRD2

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