SCHEMBL8061014

SCHEMBL8061014

c1ccc2c(c1)CCC(CN1CCOCC1)N2

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
MTNR1A P48039 3/20 0.44
HTR2A P28223 4/20 0.41
HRH1 P35367 2/20 0.41
HTR2C P28335 1/20 0.40
CYP2A13 Q16696 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD3 P35462 4/20 0.37
HTR1A P08908 3/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL14615106 0.85 GAA (0.62) GAAHTR2AHRH1HTR2CCYP2A13
SCHEMBL6195251 0.83 DRD3 (0.55) HTR2AHRH1HTR2CMEN1KMT2A
SCHEMBL6258824 0.82 GAA (0.46) GAAHTR2AHTR2CDRD3DRD2
SCHEMBL6754937 0.78 GAA (0.43) GAAALDH1A1
SCHEMBL6754938 0.78 GAA (0.43) GAAALDH1A1
SCHEMBL6754941 0.78 GAA (0.43) GAAALDH1A1
SCHEMBL6194727 0.76 ALDH1A1 (0.53) ALDH1A1HTR1A
SCHEMBL7951734 0.74 MTNR1A (0.55) GAAMTNR1AHTR2A
SCHEMBL9701340 0.74 GAA (1.00) GAACYP2A13ALDH1A1MEN1KMT2A
SCHEMBL6194450 0.74 HTR7 (0.57) HTR2CMEN1KMT2ADRD2DRD4

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
US-6013648-A IMMUNOMODULATORS SANOFI (FR) 2000-01-11 US disclosed
WO-1997000860-A1 CB2 RECEPTOR AGONIST COMPOUNDS SANOFI (FR) 1997-01-09 WO disclosed