SCHEMBL5795151

SCHEMBL5795151

Nc1nc2c(s1)CC(NC(=O)Cc1ccccc1)CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 5/20 0.67
SCN9A Q15858 5/20 0.60
SCN4A P35499 5/20 0.59
F2 P00734 3/20 0.58
F10 P00742 1/20 0.58
DRD3 P35462 4/20 0.54
DRD2 P14416 3/20 0.54
HRH2 P25021 3/20 0.54
HRH1 P35367 2/20 0.54
HRH4 Q9H3N8 2/20 0.54
HRH3 Q9Y5N1 1/20 0.54
MAPT P10636 2/20 0.53
SCN5A Q14524 1/20 0.53
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL8204692 0.82 DRD3 (0.62) SCN3ASCN9ASCN4AF2DRD3
SCHEMBL1031127 0.82 DRD3 (0.62) SCN3ASCN9ASCN4AF2DRD3
SCHEMBL1031126 0.82 DRD3 (0.62) SCN3ASCN9ASCN4AF2DRD3
SCHEMBL3025573 0.81 SCN4A (0.62) SCN3ASCN9ASCN4ADRD3DRD2
Bromide SCHEMBL4103965 0.81 DRD3 (0.61) SCN3ASCN9ASCN4AF2DRD3
SCHEMBL17165294 0.80 DRD3 (0.60) SCN3ASCN9ASCN4AF2F10
SCHEMBL7321908 0.79 MAPT (0.70) MAPTLMNAPOLB
Hydrochloric Acid SCHEMBL7316817 0.78 ADRA2A (0.66) SCN3ASCN9ASCN4ADRD3DRD2
SCHEMBL6214732 0.78 F2 (0.56) SCN3ASCN9ASCN4AF2F10
SCHEMBL3435133 0.77 SCN4A (0.61) SCN3ASCN9ASCN4ADRD3DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006012277-A2 BIOCATALYTIC PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED PRAMIPEXOLE AMR TECHNOLOGY, INC. (US) 2006-02-02 WO disclosed