SCHEMBL6876323

SCHEMBL6876323

NC(=O)COC(=O)C1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
GLI1 P08151 1/20 0.39
DPP4 P27487 4/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
FAP Q12884 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
PRCP P42785 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ELANE P08246 1/20 0.34
ATM Q13315 1/20 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
SCHEMBL14761896 0.84 NOS2 (0.38) NOS2NOS3NOS1DPP4DPP8
SCHEMBL1358236 0.83 NOS2 (0.43) NOS2NOS3NOS1GLI1DPP4
SCHEMBL7096783 0.82 PRCP (0.40) NOS2NOS3NOS1DPP4DPP8
SCHEMBL28130344 0.81 NOS2 (0.44) NOS2NOS3NOS1GLI1DPP4
SCHEMBL10030565 0.81 NOS2 (0.42) NOS2NOS3NOS1GLI1DPP4
SCHEMBL2010421 0.81 NOS2 (0.42) NOS2NOS3NOS1GLI1DPP4
SCHEMBL26117510 0.79 NOS2 (0.41) NOS2NOS3NOS1GLI1DPP4
SCHEMBL10519805 0.79 PRCP (0.41) NOS2NOS3NOS1DPP4DPP8
Hydrochloric Acid SCHEMBL10519803 0.78 PRCP (0.40) NOS2NOS3NOS1DPP4DPP8
SCHEMBL8815499 0.78 DPP4 (0.38) NOS2NOS3NOS1DPP4DPP8

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-1458680-A1 PRODRUGS TO D-PROLINES F. Hoffmann-La Roche AG (CH) 2004-09-22 EP disclosed
WO-2003051836-A1 PRODRUGS TO D-PROLINES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO disclosed