SCHEMBL8209089

SCHEMBL8209089

Nc1nc2c(s1)C[C@@H](I)CC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 1/20 0.54
DRD3 P35462 5/20 0.51
DRD2 P14416 4/20 0.51
HRH2 P25021 2/20 0.51
ADRA2A P08913 2/20 0.51
DRD4 P21917 2/20 0.51
ADRB2 P07550 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR7 P34969 1/20 0.51

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
SCHEMBL6865505 1.00 LMNA (0.54) LMNAPOLBGAAMAPTTSHR
SCHEMBL306889 0.79 LMNA (0.55) LMNAPOLBGAAMAPTTSHR
SCHEMBL2051128 0.79 LMNA (0.55) LMNAPOLBGAAMAPTTSHR
SCHEMBL306888 0.79 LMNA (0.55) LMNAPOLBGAAMAPTTSHR
Hydrochloric Acid SCHEMBL1032722 0.78 LMNA (0.54) LMNAPOLBGAAMAPTTSHR
SCHEMBL5207812 0.78 PDK1 (0.62) LMNAPOLBGAAMAPTTSHR
Bromide SCHEMBL1193429 0.78 LMNA (0.54) LMNAPOLBGAAMAPTTSHR
Hydrochloric Acid SCHEMBL942873 0.78 LMNA (0.54) LMNAPOLBGAAMAPTTSHR
Hydrochloric Acid SCHEMBL27632975 0.78 LMNA (0.54) LMNAPOLBGAAMAPTTSHR
Bromide SCHEMBL16061698 0.76 LMNA (0.53) LMNAPOLBGAAMAPTTSHR

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-2008041240-A1 PROCESS FOR PREPARING (S)-PRAMIPEXOLE AND ITS INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2008-04-10 WO disclosed