SCHEMBL8242581

SCHEMBL8242581

CC(C)[C@H](N)C(=O)OC(C1CC1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
DPP4 P27487 8/20 0.35
ALOX5 P09917 1/20 0.34
DPP7 Q9UHL4 5/20 0.33
FAP Q12884 3/20 0.33
DPP8 Q6V1X1 3/20 0.33
PREP P48147 2/20 0.33
DPP9 Q86TI2 2/20 0.33
PITRM1 Q5JRX3 1/20 0.33
IDO1 P14902 1/20 0.33
TSHR P16473 1/20 0.30

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
SCHEMBL8249586 0.86 SLC7A5 (0.39) SLC7A5DPP4ALOX5DPP7FAP
SCHEMBL8295291 0.79 TSHR (0.35) ALOX5TSHR
SCHEMBL769573 0.78 SLC7A5 (0.48) SLC7A5DPP4DPP7FAPDPP8
SCHEMBL769572 0.78 SLC7A5 (0.48) SLC7A5DPP4DPP7FAPDPP8
SCHEMBL84795 0.78 SLC7A5 (0.48) SLC7A5DPP4DPP7FAPDPP8
SCHEMBL8252018 0.77 SLC7A5 (0.32) SLC7A5DPP4ALOX5IDO1
Hydrochloric Acid SCHEMBL1456828 0.76 SLC7A5 (0.46) SLC7A5DPP4DPP7FAPDPP8
Hydrochloric Acid SCHEMBL17099133 0.76 SLC7A5 (0.46) SLC7A5DPP4DPP7FAPDPP8
SCHEMBL145865 0.73 SLC7A5 (0.48) SLC7A5DPP4DPP7FAPDPP8
SCHEMBL10873048 0.72 CHRNB2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006130607-A2 CONTROLLED-RELEASE FORMULATION USEFUL FOR TREATING DISORDERS ASSOCIATED WITH HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130687-A2 LIVER/PLASMA CONCENTRATION RATIO FOR DOSING HEPATITIS C VIRUS PROTEASE INHIBITOR SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130553-A2 HCV PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130552-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130628-A2 COMBINATION OF HCV PROTEASE INHIBITORS WITH A SURFACTANT SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130688-A2 COMPOUNDS FOR INHIBITING CATHEPSIN ACTIVITY SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130626-A2 METHOD FOR MODULATING ACTIVITY OF HCV PROTEASE THROUGH USE OF A NOVEL HCV PROTEASE INHIBITOR TO REDUCE DURATION OF TREATMENT PERIOD SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130554-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2005085275-A1 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE SCHERING CORPORATION (US) 2005-09-15 WO disclosed