SCHEMBL1853604

SCHEMBL1853604

Fc1ccccc1CCN1CC=C(c2c[nH]c3ncccc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.69
TMEM97 Q5BJF2 1/20 0.69
DRD2 P14416 2/20 0.67
DRD4 P21917 2/20 0.67
DRD3 P35462 2/20 0.67
HTR1A P08908 9/20 0.59
SLC6A4 P31645 4/20 0.59
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
CHEK1 O14757 2/20 0.50
MAP4K4 O95819 2/20 0.50
PIM1 P11309 2/20 0.50
PRKACA P17612 2/20 0.50
CLK2 P49760 2/20 0.50
GSK3B P49841 2/20 0.50
CDK5 Q00535 2/20 0.50
PRKAA1 Q13131 2/20 0.50
ROCK1 Q13464 2/20 0.50
DYRK1A Q13627 2/20 0.50

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
SCHEMBL1851495 0.82 CHEK1 (0.70) SIGMAR1TMEM97DRD2DRD4DRD3
SCHEMBL1849516 0.81 SIGMAR1 (0.73) SIGMAR1TMEM97DRD2DRD4DRD3
SCHEMBL1849796 0.80 CHEK1 (0.62) SIGMAR1TMEM97DRD2DRD4DRD3
SCHEMBL13502652 0.80 SIGMAR1 (0.68) SIGMAR1TMEM97DRD2DRD4DRD3
SCHEMBL2064431 0.76 SLC6A4 (0.64) SIGMAR1TMEM97HTR1ASLC6A4ADRA1D
SCHEMBL7544532 0.74 HTR1A (1.00) SIGMAR1TMEM97DRD2DRD4DRD3
SCHEMBL1850315 0.73 TMEM97 (0.63) SIGMAR1TMEM97DRD2DRD4DRD3
SCHEMBL13064304 0.73 TMEM97 (0.59) SIGMAR1TMEM97DRD2DRD4DRD3
SCHEMBL1849530 0.73 CDK9 (0.63) SIGMAR1TMEM97HTR1ASLC6A4ADRA1D
SCHEMBL7111656 0.73 SIGMAR1 (0.67) SIGMAR1TMEM97DRD2DRD4DRD3

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
EP-2323659-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-05-25 EP disclosed
WO-2010017150-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 WO disclosed