SCHEMBL8296552

SCHEMBL8296552

N#CC1(NC(=O)[C@@H](N)C2CCCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.45
CTSL P07711 5/20 0.45
DPP4 P27487 10/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
CTSC P53634 2/20 0.41
DPP9 Q86TI2 1/20 0.39
GLS O94925 1/20 0.38

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
SCHEMBL8296548 0.95 CTSS (0.42) CTSSCTSLDPP4DPP8DPP7
SCHEMBL5362155 0.82 CTSS (0.54) CTSSDPP4DPP8DPP7DPP9
SCHEMBL7419722 0.74 CTSS (0.47) CTSSCTSL
Hydrochloric Acid SCHEMBL7418337 0.73 CTSS (0.40) CTSSCTSLCTSC
SCHEMBL8296554 0.72 EPHX1 (0.46) DPP4DPP7GLS
SCHEMBL8294199 0.72 EPHX1 (0.52) DPP4GLS
SCHEMBL22679468 0.72 EPHX1 (0.52) DPP4GLS
SCHEMBL27636683 0.72 EPHX1 (0.52) DPP4GLS
Hydrochloric Acid SCHEMBL7419368 0.72 CTSS (0.48) CTSSCTSLCTSC
SCHEMBL3234020 0.71 CTSS (0.50) CTSSCTSLCTSC

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-2005025554-A2 DIPEPTIDYL PEPTIDASE IV INHIBITOR JAPAN TOBACCO INC. (JP) 2005-03-24 WO disclosed