SCHEMBL7839758

SCHEMBL7839758

CC(C)(C)OC(=O)C1CCC(CO)N1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
NR1H2 P55055 1/20 0.34
HRH3 Q9Y5N1 1/20 0.31
MAPK1 P28482 1/20 0.31
HPGD P15428 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL7364324 0.87 DPP4 (0.32) DPP4OPRM1OPRD1HRH3
SCHEMBL7419979 0.86 DPP4 (0.43) DPP4OPRM1OPRD1HRH3MAPK1
SCHEMBL7419982 0.86 DPP4 (0.43) DPP4OPRM1OPRD1HRH3MAPK1
SCHEMBL12898939 0.83 ALDH1A1 (0.38) DPP4HRH3
SCHEMBL25684409 0.83 MAPK1 (0.37) HRH3MAPK1HPGDCHRM2CHRM1
SCHEMBL12034086 0.81 L3MBTL1 (0.33)
SCHEMBL12034082 0.81 L3MBTL1 (0.33)
SCHEMBL1518056 0.81 L3MBTL1 (0.33)
SCHEMBL7435914 0.81 CA12 (0.32)
SCHEMBL1517868 0.81 L3MBTL1 (0.33)

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
EP-0663912-B1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LAB (US) 2001-12-12 EP disclosed