SCHEMBL4409209

SCHEMBL4409209

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.39
PRCP P42785 2/20 0.37
NOS2 P35228 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EPHX2 P34913 1/20 0.34
CTSC P53634 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
DPP4 P27487 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
SCHEMBL4409208 0.81 DPP7 (0.36) DPP7PRCPNOS2NOS3NOS1
SCHEMBL28861849 0.79 DPP7 (0.37) DPP7PRCPALDH1A1SMN1; SMN2CYP1A2
SCHEMBL30866235 0.75 DPP7 (0.47) DPP7PRCPNOS2NOS3NOS1
SCHEMBL21955441 0.75 DPP7 (0.47) DPP7PRCPNOS2NOS3NOS1
SCHEMBL25728331 0.75 DPP7 (0.47) DPP7PRCPNOS2NOS3NOS1
SCHEMBL16853543 0.74 DPP7 (0.49) DPP7PRCPCTSCCYP1A2CYP3A4
SCHEMBL5493484 0.73 NPSR1 (0.33) NPSR1CTSC
SCHEMBL5493485 0.73 NPSR1 (0.33) NPSR1CTSC
SCHEMBL30729269 0.73 DPP7 (0.48) DPP7PRCPALDH1A1SMN1; SMN2CTSC
SCHEMBL30729221 0.73 DPP7 (0.48) DPP7PRCPALDH1A1SMN1; SMN2CTSC

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