SCHEMBL26655366

SCHEMBL26655366

C=CCOC(=O)C(N)CCCNC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.45
MAPT P10636 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
DPP7 Q9UHL4 2/20 0.35
OTC P00480 1/20 0.35
ARG1 P05089 1/20 0.34
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
C3AR1 Q16581 1/20 0.32
TSHR P16473 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
CYP3A4 P08684 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
SCHEMBL367998 0.88 DDAH1 (0.43) DDAH1MAPTCACNA1BAPBA1DPP7
SCHEMBL367997 0.88 DDAH1 (0.43) DDAH1MAPTCACNA1BAPBA1DPP7
Hydrochloric Acid SCHEMBL3432002 0.87 DDAH1 (0.42) DDAH1MAPTCACNA1BAPBA1DPP7
SCHEMBL19259278 0.82 KDM4E (0.43) DDAH1MAPTCACNA1BAPBA1DPP7
SCHEMBL3133848 0.80 DPP7 (0.41) DDAH1DPP7OTCARG1MEN1
SCHEMBL29106719 0.80 DPP7 (0.41) DDAH1DPP7OTCARG1MEN1
SCHEMBL7855285 0.79 DPP7 (0.45) DDAH1DPP7OTCTSHRGNAI3
SCHEMBL9342965 0.79 DPP7 (0.45) DDAH1DPP7OTCTSHRGNAI3
SCHEMBL8580173 0.78 DPP7 (0.43) DDAH1DPP7OTCARG1C3AR1
SCHEMBL5203652 0.78 GSR (0.42) DDAH1MAPTCACNA1BAPBA1DPP7

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
WO-2023217590-A1 POLYAMIDE MICROCAPSULES FIRMENICH SA (CH) 2023-11-16 WO disclosed
WO-2023217589-A1 POLYAMIDE MICROCAPSULES FIRMENICH SA (CH) 2023-11-16 WO disclosed