SCHEMBL13480299

SCHEMBL13480299

CC1[C@@H](C)C[C@@H](C#N)N1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
MAPT P10636 1/20 0.41
ACHE P22303 1/20 0.39
DPP4 P27487 5/20 0.35
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MC4R P32245 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL13680133 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM5MAPTACHE
SCHEMBL8301669 0.79 DPP4 (0.47) CHRM2CHRM4CHRM5DPP4SIGMAR1
SCHEMBL3170475 0.79 DPP4 (0.47) CHRM2CHRM4CHRM5DPP4SIGMAR1
SCHEMBL24685658 0.74 CHRM2 (0.45) CHRM2CHRM4CHRM5MAPTACHE
SCHEMBL1488909 0.74 LTA4H (0.45) CHRM2CHRM4CHRM5ACHEDPP4
SCHEMBL3274071 0.73 DPP4 (0.45) CHRM2CHRM4CHRM5ACHEDPP4
SCHEMBL12855709 0.71 CHRM2 (0.50) CHRM2CHRM4CHRM5MAPTACHE
SCHEMBL20797832 0.70 CHRM2 (0.55) CHRM2CHRM4CHRM5MAPTACHE
SCHEMBL20811168 0.70 CHRM2 (0.55) CHRM2CHRM4CHRM5MAPTACHE
SCHEMBL9677809 0.69 MAPT (0.44) MAPTSIGMAR1

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-1658066-B9 ADAMANTYLGLYCINE- BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES BRISTOL MYERS SQUIBB CO (US) 2010-02-24 EP disclosed