SCHEMBL9014945

SCHEMBL9014945

CCOc1cccc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.42
HTR2A P28223 6/20 0.42
DRD3 P35462 4/20 0.42
HTR2C P28335 1/20 0.42
DRD2 P14416 5/20 0.42
KCNH2 Q12809 4/20 0.41
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40

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
SCHEMBL9014895 0.94 HTR1A (0.42) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL9014817 0.91 HTR1A (0.52) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL9014775 0.88 DRD2 (0.41) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL9014892 0.88 KCNH2 (0.56) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL9265535 0.86 KDM4E (0.44) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL9014870 0.85 HTR3E (0.45) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL9014815 0.83 KCNH2 (0.55) HTR1AHTR2ADRD3DRD2KCNH2
SCHEMBL9014874 0.83 DRD2 (0.49) HTR1AHTR2ADRD3HTR2CDRD2
SCHEMBL9014858 0.82 KCNH2 (0.57) HTR1AHTR2ADRD3DRD2KCNH2
SCHEMBL9014685 0.80 DRD3 (0.57) HTR1AHTR2ADRD3HTR2CDRD2

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