SCHEMBL8140944

SCHEMBL8140944

COC(=O)[C@@H]1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 2/20 0.43
BTK Q06187 1/20 0.40
DGAT1 O75907 1/20 0.38
SLC6A4 P31645 1/20 0.36
GAA P10253 1/20 0.36
PDE4B Q07343 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 2/20 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
SCHEMBL8181924 1.00 CHRM2 (0.43) CHRM2CHRM4CHRM3SLC6A2BTK
SCHEMBL1296390 0.96 SLC6A2 (0.46) CHRM2CHRM4CHRM3SLC6A2BTK
SCHEMBL1296115 0.87 EPHX1 (0.41) CHRM2CHRM3SLC6A2BTKDGAT1
SCHEMBL6159678 0.85 DGAT1 (0.41) CHRM2CHRM4CHRM3BTKDGAT1
SCHEMBL6159675 0.85 DGAT1 (0.41) CHRM2CHRM4CHRM3BTKDGAT1
SCHEMBL6160832 0.85 DGAT1 (0.41) CHRM2CHRM4CHRM3BTKDGAT1
SCHEMBL9133786 0.85 CHRM2 (0.53) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL9133791 0.85 CHRM2 (0.53) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL4614064 0.85 CHRM2 (0.53) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL23004339 0.84 BTK (0.47) BTK

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-2008119772-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed