SCHEMBL9014895

SCHEMBL9014895

CCCOc1cccc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.42
HTR2A P28223 8/20 0.42
DRD3 P35462 4/20 0.42
HTR2C P28335 1/20 0.42
KCNH2 Q12809 4/20 0.41
DRD2 P14416 7/20 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
SCHEMBL9014945 0.94 HTR1A (0.42) HTR1AHTR2ADRD3HTR2CKCNH2
SCHEMBL9014817 0.91 HTR1A (0.52) HTR1AHTR2ADRD3HTR2CKCNH2
SCHEMBL9014775 0.88 DRD2 (0.41) HTR1AHTR2ADRD3HTR2CKCNH2
SCHEMBL9014892 0.88 KCNH2 (0.56) HTR1AHTR2ADRD3HTR2CKCNH2
SCHEMBL9265535 0.86 KDM4E (0.44) HTR1AHTR2ADRD3HTR2CKCNH2
SCHEMBL9014870 0.85 HTR3E (0.45) HTR1AHTR2ADRD3HTR2CKCNH2
SCHEMBL9014815 0.83 KCNH2 (0.55) HTR1AHTR2ADRD3KCNH2DRD2
SCHEMBL9014874 0.83 DRD2 (0.49) HTR1AHTR2ADRD3HTR2CKCNH2
SCHEMBL9014858 0.82 KCNH2 (0.57) HTR1AHTR2ADRD3KCNH2DRD2
SCHEMBL9014685 0.80 DRD3 (0.57) HTR1AHTR2ADRD3HTR2CKCNH2

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