SCHEMBL4409208

SCHEMBL4409208

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.36
DPP4 P27487 3/20 0.36
NOS2 P35228 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRCP P42785 1/20 0.35
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CTSC P53634 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
SCHEMBL4409209 0.81 DPP7 (0.39) DPP7DPP4NOS2NOS3NOS1
SCHEMBL28861849 0.81 DPP7 (0.37) DPP7ALDH1A1SMN1; SMN2PRCPTSHR
SCHEMBL27665165 0.76 NOS2 (0.42) DPP7DPP4NOS2NOS3NOS1
SCHEMBL30866235 0.76 DPP7 (0.47) DPP7NOS2NOS3NOS1PRCP
SCHEMBL21955441 0.76 DPP7 (0.47) DPP7NOS2NOS3NOS1PRCP
SCHEMBL25728331 0.76 DPP7 (0.47) DPP7NOS2NOS3NOS1PRCP
SCHEMBL30051748 0.75 DPP7 (0.44) DPP7ALDH1A1SMN1; SMN2PRCPTSHR
SCHEMBL21294043 0.75 PRCP (0.44) DPP7DPP4NOS2NOS3NOS1
SCHEMBL27457274 0.75 PRCP (0.44) DPP7DPP4NOS2NOS3NOS1
SCHEMBL16853543 0.75 DPP7 (0.49) DPP7PRCPTSHRCYP1A2CYP3A4

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
US-7608577-B2 Peptidyl ketones as inhibitors of DPIV OSI PHARMACEUTICALS, INC. (US) 2009-10-27 US disclosed