SCHEMBL27770508

SCHEMBL27770508

Cc1c[c]ccc1N1CCN(C[SH](=O)=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
MAPT P10636 1/20 0.35
RAD52 P43351 1/20 0.35
GFER P55789 1/20 0.35
HTR7 P34969 4/20 0.35
ADRA1B P35368 3/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HTR1A P08908 2/20 0.33
ATM Q13315 2/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL16462683 0.81 GAA (0.53) GAAMAPTRAD52GFERHTR7
SCHEMBL1815031 0.78 DRD2 (0.46) MAPTADRA1BADRA1DADRA1AHTT
SCHEMBL1811703 0.77 OPRL1 (0.38)
SCHEMBL188362 0.76 ADRA2C (0.42) GAAMAPTRAD52GFERLMNA
SCHEMBL2033939 0.76 ALDH1A1 (0.46) GAAMAPTHTTATMPOLB
SCHEMBL27874600 0.75 GAA (0.38) GAAMAPTRAD52GFERHTR7
SCHEMBL16462696 0.75 BRD1 (0.39) GAAMAPTRAD52GFERHTR7
SCHEMBL17838720 0.75 SIGMAR1 (0.51) LMNAATMPOLB
SCHEMBL188346 0.75 HTR2A (0.39) HTR7ADRA1BADRA1DADRA1AHTR1A
SCHEMBL27770419 0.74 CHRNA7 (0.38) GAAMAPTRAD52GFERHTR7

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
CN-101432284-A Dihydropyrazolopyrimidinone derivative BANYU PHARMA CO LTD (JP) 2009-05-13 CN disclosed