SCHEMBL9014751

SCHEMBL9014751

FC(F)(F)c1ccnc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
DRD1 P21728 1/20 0.45
ADRB1 P08588 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP2D6 P10635 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 6/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
PARP1 P09874 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
HTR7 P34969 2/20 0.39
BACE1 P56817 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL9014815 0.81 KCNH2 (0.55) DRD2DRD3DRD1HRH3SLC6A2
SCHEMBL9014874 0.81 DRD2 (0.49) DRD2DRD3DRD1HRH3SLC6A2
SCHEMBL9014858 0.81 KCNH2 (0.57) DRD2DRD3DRD1HRH3HTR7
SCHEMBL9014896 0.78 HSD11B1 (0.49) DRD2PARP1TRPV1PPARG
SCHEMBL9014685 0.78 DRD3 (0.57) DRD2DRD3DRD1HRH3SLC6A2
SCHEMBL9014893 0.77 HRH3 (0.50) DRD2DRD3DRD1KDM4ECYP2D6
SCHEMBL9014904 0.76 HRH3 (0.49) DRD2DRD3DRD1KDM4ECYP2D6
SCHEMBL9014892 0.76 KCNH2 (0.56) DRD2DRD3HRH3HTR7
SCHEMBL9014823 0.76 HRH3 (0.43) DRD2DRD3DRD1HRH3HTR7
SCHEMBL9022985 0.76 HTR7 (0.50) DRD2DRD3DRD1ADRB1KDM4E

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