SCHEMBL25728331

SCHEMBL25728331

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.47
PRCP P42785 2/20 0.42
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
CTSC P53634 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
TLR2 O60603 1/20 0.36
DDOST P39656 1/20 0.36

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
SCHEMBL21955441 1.00 DPP7 (0.47) DPP7PRCPNOS2NOS3NOS1
SCHEMBL30866235 1.00 DPP7 (0.47) DPP7PRCPNOS2NOS3NOS1
SCHEMBL19258205 0.89 DPP7 (0.46) DPP7PRCPNOS2NOS3NOS1
SCHEMBL19138319 0.89 DPP7 (0.46) DPP7PRCPNOS2NOS3NOS1
SCHEMBL17469367 0.89 DPP7 (0.46) DPP7PRCPNOS2NOS3NOS1
SCHEMBL17469380 0.89 DPP7 (0.46) DPP7PRCPNOS2NOS3NOS1
Hydrochloric Acid SCHEMBL28600561 0.88 DPP7 (0.45) DPP7PRCPNOS2NOS3NOS1
Hydrochloric Acid SCHEMBL28600562 0.88 DPP7 (0.45) DPP7PRCPNOS2NOS3NOS1
Hydrochloric Acid SCHEMBL28600564 0.88 DPP7 (0.45) DPP7PRCPNOS2NOS3NOS1
SCHEMBL16853543 0.87 DPP7 (0.49) DPP7PRCPCTSCCYP3A4CYP2D6

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
EP-3988561-B1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPHARMA LTD (KY) 2023-06-07 EP disclosed