SCHEMBL8996657

SCHEMBL8996657

CC(C)CC1(C)OCC(CN2CCCCC2)O1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
ADRA2C P18825 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA1D P25100 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
CHRM5 P08912 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
SCHEMBL8996583 0.83 CHRM5 (0.38) GAATMEM97SIGMAR1MEN1LMNA
SCHEMBL10761463 0.74 GAA (0.39) GAATMEM97SIGMAR1MEN1LMNA
SCHEMBL10761458 0.74 GAA (0.39) GAATMEM97SIGMAR1MEN1LMNA
SCHEMBL9597774 0.74 MEN1 (0.31) MEN1LMNAKMT2ACHRM5
SCHEMBL28544297 0.74 MEN1 (0.31) MEN1LMNAKMT2ACHRM5
SCHEMBL9598615 0.74 MEN1 (0.31) MEN1LMNAKMT2ACHRM5
SCHEMBL1411292 0.74 MEN1 (0.31) MEN1LMNAKMT2ACHRM5
SCHEMBL8743017 0.72 CA2 (0.36) MEN1LMNAKMT2ACHRM5
SCHEMBL19420730 0.72 CTDSP1 (0.56) KMT2A
SCHEMBL9003941 0.71 GAA (0.39) GAATMEM97SIGMAR1HTR1AADRA1A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571930-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
US-5493034-A Intermediate for pesticidal aminomethylheterocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 1996-02-20 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
EP-0355597-B1 SUBSTITUTED DIOXOLANYLETHYLAMINES, PROCESS FOR THEIR PREPARATION, THEIR USE IN PESTICIDES, AND INTERMEDIATES BAYER AG (DE) 1993-06-09 EP 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
EP-0281842-B1 AMINOMETHYL-HETEROCYCLES BAYER AG (DE) 1991-07-17 EP disclosed
US-5010101-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
US-4985421-A Fungicidal substituted dioxolanylethylamine BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed
EP-0359979-A1 Aminomethylheterocyclic compounds, process for their preparation, their use in pesticides, and intermediates BAYER AG (DE) 1990-03-28 EP disclosed
EP-0355597-A1 Substituted dioxolanylethylamines, process for their preparation, their use in pesticides, and intermediates BAYER AG (DE) 1990-02-28 EP disclosed
US-4851405-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
EP-0281842-A1 Aminomethyl-heterocycles BAYER AG (DE) 1988-09-14 EP disclosed