SCHEMBL8301669

SCHEMBL8301669

N#C[C@@H]1CC2CC2N1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.47
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
PREP P48147 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 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
SCHEMBL3170475 1.00 DPP4 (0.47) DPP4CHRM2CHRM4CHRM5PREP
SCHEMBL13480299 0.79 CHRM2 (0.42) DPP4CHRM2CHRM4CHRM5SIGMAR1
SCHEMBL13680133 0.79 CHRM2 (0.42) DPP4CHRM2CHRM4CHRM5SIGMAR1
SCHEMBL3274071 0.75 DPP4 (0.45) DPP4CHRM2CHRM4CHRM5PREP
SCHEMBL24685658 0.72 CHRM2 (0.45) CHRM2CHRM4CHRM5SIGMAR1
SCHEMBL12830800 0.70 CHRM2 (0.59) CHRM2CHRM4CHRM5SIGMAR1
SCHEMBL9677809 0.70 MAPT (0.44) SIGMAR1
SCHEMBL25079048 0.70 CHRM2 (0.59) CHRM2CHRM4CHRM5SIGMAR1
SCHEMBL10057896 0.70 DPP4 (0.42) DPP4
SCHEMBL4521492 0.69 CHRM2 (0.53) CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1997489-A1 Adamantylglycine derivatives as inhibitors of dipeptidyl peptidase IV for the treatment of diabetes BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-03 EP disclosed
WO-2005012249-A2 ADAMANTYGLYCINE- BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-10 WO disclosed