SCHEMBL8996692

SCHEMBL8996692

CCC(C)C1CCC2(CC1)OCC(CN1CC(C)CC(C)C1)O2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
HTR1A P08908 10/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ADRA1B P35368 9/20 0.32
ADRA1A P35348 8/20 0.32
ADRA1D P25100 8/20 0.32

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
SCHEMBL9426366 0.82 GAA (0.53) GAAHTR1ATMEM97SIGMAR1ADRA1B
SCHEMBL9426043 0.81 GAA (0.40) GAAHTR1ATMEM97SIGMAR1ADRA1B
SCHEMBL9426913 0.80 GAA (0.41) GAAHTR1ATMEM97SIGMAR1ADRA1B
SCHEMBL8126482 0.80 GAA (0.41) GAAHTR1ATMEM97SIGMAR1ADRA1B
SCHEMBL10429896 0.79 GAA (0.39) GAAHTR1ATMEM97SIGMAR1ADRA1B
SCHEMBL8996630 0.76 PABPC1 (0.34) GAA
SCHEMBL9003781 0.69 PABPC1 (0.32)
SCHEMBL13823649 0.69 ADRA1A (0.32) ADRA1A
SCHEMBL9520955 0.67

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 10 patents. 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
JP-2108685-A None JP disclosed
US-5571930-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
US-5447927-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1995-09-05 US disclosed
US-5376660-A An aminomethyl-1,4-dioxaspiro(4,5)decanes pesticides or fungicides BAYER AKTIENGESELLSCHAFT (DE) 1994-12-27 US disclosed
US-5177103-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1993-01-05 US disclosed
EP-0359979-B1 AMINOMETHYLHETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE IN PESTICIDES, AND INTERMEDIATES BAYER AG (DE) 1992-12-30 EP disclosed
US-5010101-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
JP-H02108685-A AMINOMETHYL HETEROCYCLIC COMPOUND, ITS PRODUCTION, USE OF THE SAME FOR PESTCONTROL AND NOVEL INTERMEDIATE BAYER AG 1990-04-20 JP disclosed
EP-0359979-A1 Aminomethylheterocyclic compounds, process for their preparation, their use in pesticides, and intermediates BAYER AG (DE) 1990-03-28 EP disclosed