SCHEMBL9426366

SCHEMBL9426366

CCC(C)C1CCC2(CC1)OCC(CN1CCCCC1)O2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
HTR1A P08908 14/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ADRA1B P35368 13/20 0.42
ADRA1A P35348 12/20 0.42
ADRA1D P25100 12/20 0.37
PABPC1 P11940 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL9426648 0.87 GAA (0.42) GAAHTR1ATMEM97SIGMAR1ADRA1B
SCHEMBL8996692 0.82 GAA (0.39) GAAHTR1ATMEM97SIGMAR1ADRA1B
SCHEMBL9426913 0.80 GAA (0.41) GAAHTR1ATMEM97SIGMAR1ADRA1B
SCHEMBL9853850 0.80 GAA (0.79) GAAHTR1ATMEM97SIGMAR1ADRA1B
SCHEMBL10487109 0.78 GAA (0.56) GAAHTR1ATMEM97SIGMAR1ADRA1B
SCHEMBL10487078 0.78 GAA (0.56) GAAHTR1ATMEM97SIGMAR1ADRA1B
SCHEMBL8996630 0.77 PABPC1 (0.34) GAAPABPC1CTDSP1
SCHEMBL13661568 0.75 GAA (0.61) GAAHTR1ATMEM97SIGMAR1ADRA1B
SCHEMBL9003941 0.72 GAA (0.39) GAAHTR1ATMEM97SIGMAR1ADRA1B
SCHEMBL13823649 0.71 ADRA1A (0.32) ADRA1APABPC1CTDSP1

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
US-5376660-A An aminomethyl-1,4-dioxaspiro(4,5)decanes pesticides or fungicides BAYER AKTIENGESELLSCHAFT (DE) 1994-12-27 US claimed