SCHEMBL9014722

SCHEMBL9014722

CCCOc1cccc(N2CCNCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.51
HTR3E A5X5Y0 2/20 0.51
HTR3B O95264 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTR3D Q70Z44 2/20 0.51
HTR3C Q8WXA8 2/20 0.51
HTR2C P28335 5/20 0.49
HTR2A P28223 3/20 0.49
HTR2B P41595 3/20 0.49
PLD1 Q13393 1/20 0.46
ADRB1 P08588 2/20 0.46
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
FPR3 P25089 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46

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
SCHEMBL3109301 0.93 HTR3A (0.50) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL3266629 0.88 HTR3A (0.54) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL3266832 0.82 HTR3A (0.50) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL2412819 0.80 HTR3E (0.58) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL3112135 0.79 SIGMAR1 (0.45) HTR3AHTR3EHTR3BALDH1A1HTR3D
Hydrochloric Acid SCHEMBL3849292 0.79 HTR3E (0.57) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL3104344 0.79 HTR2C (0.57) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL3098735 0.79 HTR3A (0.50) HTR3AHTR3EHTR3BALDH1A1HTR3D
Hydrochloric Acid SCHEMBL31061265 0.78 HTR2C (0.58) HTR3AHTR3EHTR3BALDH1A1HTR3D
SCHEMBL6100255 0.78 HTR2C (0.53) HTR3AHTR3EHTR3BALDH1A1HTR3D

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