SCHEMBL7420310

SCHEMBL7420310

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.43
SCN9A Q15858 2/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN5A Q14524 1/20 0.36
GLI1 P08151 1/20 0.35
DPP4 P27487 6/20 0.33
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 3/20 0.33
FAP Q12884 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PRCP P42785 1/20 0.33
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
HTR2C P28335 1/20 0.32
PFKFB2 O60825 1/20 0.32
PFKFB1 P16118 1/20 0.32
PFKFB3 Q16875 1/20 0.32

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
SCHEMBL6861557 0.83 SCN4A (0.43) SCN4ASCN9ASCN3ASCN5AGLI1
SCHEMBL14743892 0.82 SCN4A (0.40) SCN4ASCN9ASCN3ASCN5AGLI1
SCHEMBL14743621 0.82 SCN4A (0.40) SCN4ASCN9ASCN3ASCN5AGLI1
SCHEMBL7269372 0.81
SCHEMBL6535567 0.77 SCN4A (0.45) SCN4ASCN9ASCN3ASCN5ADPP4
SCHEMBL24074316 0.77 SCN4A (0.35) SCN4ASCN9ASCN3ASCN5AGLI1
SCHEMBL7746797 0.76 SCN4A (0.36) SCN4ASCN9ASCN3ASCN5AGLI1
SCHEMBL11130623 0.75 SCN4A (0.35) SCN4ASCN9ASCN3ASCN5AGLI1
SCHEMBL248746 0.75 NOS2 (0.39) SCN4ASCN9ASCN3ASCN5AGLI1
SCHEMBL10326195 0.75 SCN4A (0.46) SCN4AGLI1DPP4DPP8DPP9

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
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed