SCHEMBL7299113

SCHEMBL7299113

CC(C)(C)OC(=O)[N]C(=O)[C@@H]1CCCN1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.36
DPP8 Q6V1X1 4/20 0.36
DPP9 Q86TI2 4/20 0.36
SCN9A Q15858 2/20 0.35
SCN3A Q9NY46 1/20 0.35
SCN5A Q14524 1/20 0.35
DPP7 Q9UHL4 2/20 0.35
FAP Q12884 1/20 0.35
NOS2 P35228 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
PRCP P42785 1/20 0.34
SCN4A P35499 1/20 0.33
HTR2C P28335 1/20 0.31

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
SCHEMBL40093 0.78 NOS2 (0.39) DPP4DPP8DPP9SCN9ASCN3A
SCHEMBL248747 0.78 NOS2 (0.39) DPP4DPP8DPP9SCN9ASCN3A
SCHEMBL248746 0.78 NOS2 (0.39) DPP4DPP8DPP9SCN9ASCN3A
SCHEMBL2804278 0.77 SCN9A (0.39) DPP4DPP8DPP9SCN9ASCN3A
Hydrochloric Acid SCHEMBL596114 0.76 NOS2 (0.38) DPP4DPP8DPP9SCN9ASCN3A
Hydrochloric Acid SCHEMBL661789 0.76 NOS2 (0.38) DPP4DPP8DPP9SCN9ASCN3A
Bromide SCHEMBL27517782 0.76 NOS2 (0.38) DPP4DPP8DPP9SCN9ASCN3A
Hydrochloric Acid SCHEMBL661790 0.76 NOS2 (0.38) DPP4DPP8DPP9SCN9ASCN3A
SCHEMBL7799682 0.75 SCN9A (0.37) DPP4DPP8DPP9SCN9ASCN3A
SCHEMBL10608449 0.75 SCN9A (0.37) DPP4DPP8DPP9SCN9ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
EP-0228192-A2 Renin-inhibitory oligopeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-07-08 EP disclosed