SCHEMBL290044

SCHEMBL290044

N#CC(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CC(C(N)=O)CCO1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.44
DPP4 P27487 7/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
FAP Q12884 3/20 0.40
DPP7 Q9UHL4 2/20 0.40
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NAAA Q02083 1/20 0.34
LGMN Q99538 1/20 0.33
FFAR2 O15552 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
KIF11 P52732 2/20 0.33

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
SCHEMBL289986 0.89 CTSC (0.42) CTSCDPP4DPP8DPP9FAP
SCHEMBL290171 0.85 CTSC (0.45) CTSC
SCHEMBL290567 0.79 CTSC (0.51) CTSC
SCHEMBL288811 0.78 CTSC (0.49) CTSCDPP4
SCHEMBL289754 0.77 CTSC (0.52) CTSC
SCHEMBL299868 0.75 CTSC (0.47) CTSC
SCHEMBL289965 0.75 CTSC (0.39) CTSC
SCHEMBL288983 0.73 CTSC (0.55) CTSC
SCHEMBL290060 0.72 CTSC (0.58) CTSC
SCHEMBL290045 0.70 CTSC (0.63) CTSC

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-2427445-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 AstraZeneca AB (SE) 2012-03-14 EP claimed
EP-2427445-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 AstraZeneca AB (SE) 2012-03-14 EP disclosed