SCHEMBL9014874

SCHEMBL9014874

FC(F)(F)c1cccc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.49
DRD3 P35462 11/20 0.49
OPRM1 P35372 6/20 0.49
HTR1A P08908 5/20 0.44
HTR2A P28223 4/20 0.43
DRD4 P21917 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
DRD1 P21728 1/20 0.41
PHGDH O43175 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL9014870 0.85 HTR3E (0.45) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL9014892 0.85 KCNH2 (0.56) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL9014817 0.84 HTR1A (0.52) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL9014945 0.83 HTR1A (0.42) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL9014895 0.83 HTR1A (0.42) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL9014815 0.82 KCNH2 (0.55) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL9014858 0.81 KCNH2 (0.57) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL9265535 0.81 KDM4E (0.44) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL9014751 0.81 DRD2 (0.45) DRD2DRD3DRD1HRH3SLC6A2
SCHEMBL9014775 0.81 DRD2 (0.41) DRD2DRD3HTR1AHTR2AHTR2C

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