SCHEMBL8028683

SCHEMBL8028683

CN1CCc2ccc(N3CCOCC3)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.56
SIGMAR1 Q99720 7/20 0.56
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 1/20 0.52
DRD4 P21917 1/20 0.52
HRH1 P35367 1/20 0.52
HTR2B P41595 1/20 0.52
SLC6A2 P23975 5/20 0.48
SLC6A4 P31645 5/20 0.48
SLC6A3 Q01959 5/20 0.48
ABHD6 Q9BV23 1/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
LGMN Q99538 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL12853680 0.90 TMEM97 (0.58) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL19537525 0.86 TMEM97 (0.57) TMEM97SIGMAR1ADRA2CSLC6A4MAOA
SCHEMBL16695080 0.85 MAOA (0.50) TMEM97SIGMAR1SLC6A4ABHD6MAOA
SCHEMBL10386636 0.80 TMEM97 (0.58) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL10386377 0.80 TMEM97 (0.58) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL21646504 0.77 LGMN (0.49) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL12853747 0.77 L3MBTL3 (0.51) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL12572450 0.77 TMEM97 (0.58) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL19537604 0.77 TMEM97 (0.59) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL14922321 0.77 ALDH1A1 (0.63) ADRA2CLGMNKDM4EMEN1USP2

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-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed