SCHEMBL7536202

SCHEMBL7536202

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
DPP4 P27487 4/20 0.34
ELANE P08246 1/20 0.33
PRCP P42785 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
DPP7 Q9UHL4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
TLR2 O60603 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGAV P06756 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
SCHEMBL3489282 0.88 NOS2 (0.35) NOS2NOS3NOS1DPP4ELANE
SCHEMBL2537702 0.88 NOS2 (0.39) NOS2NOS3NOS1DPP4ELANE
SCHEMBL30716624 0.86 QARS1 (0.40) NOS2NOS3NOS1DPP4ELANE
SCHEMBL285831 0.85 NOS2 (0.37) NOS2NOS3NOS1DPP4ELANE
SCHEMBL756555 0.84 SLC7A5 (0.36) NOS2NOS3NOS1DPP4PRCP
SCHEMBL11858950 0.84 SLC7A5 (0.36) NOS2NOS3NOS1DPP4PRCP
SCHEMBL1537227 0.84 SLC7A5 (0.36) NOS2NOS3NOS1DPP4PRCP
SCHEMBL51271 0.84 NOS2 (0.36) NOS2NOS3NOS1DPP4ELANE
SCHEMBL11557434 0.82 REN (0.35) NOS2NOS3NOS1DPP4ELANE
SCHEMBL787736 0.80 DPP7 (0.35) NOS2NOS3NOS1DPP4PRCP

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
WO-2002028438-A1 LIPOPEPTIDES AS ABSORPTION ENHANCERS FOR BIOACTIVE COMPOUNDS KING'S COLLEGE LONDON (GB) 2002-04-11 WO disclosed