SCHEMBL9014896

SCHEMBL9014896

FC(F)(F)c1cccnc1N1CCN(CCCCOc2cnc3c(n2)CCCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.49
TRPV1 Q8NER1 8/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
EPHX2 P34913 1/20 0.44
RBP4 P02753 1/20 0.43
PARP1 P09874 1/20 0.41
PPARG P37231 1/20 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
SCHEMBL9014886 0.85 DRD3 (0.46) HTR1ADRD2HTR2A
SCHEMBL9014877 0.83 DRD2 (0.52) HTR1ADRD2HTR2A
SCHEMBL9014712 0.82 DRD2 (0.57) HTR1ADRD2HTR2A
SCHEMBL9014893 0.81 HRH3 (0.50) HTR1ADRD2HTR2APARP1
SCHEMBL9014651 0.81 HTR1A (0.43) HTR1ADRD2HTR2A
SCHEMBL9014904 0.80 HRH3 (0.49) HTR1ADRD2HTR2APARP1
SCHEMBL9014815 0.79 KCNH2 (0.55) HTR1ADRD2HTR2A
SCHEMBL9014874 0.79 DRD2 (0.49) HTR1ADRD2HTR2A
SCHEMBL9014858 0.79 KCNH2 (0.57) HTR1ADRD2HTR2A
SCHEMBL9014751 0.78 DRD2 (0.45) TRPV1DRD2PARP1PPARG

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