SCHEMBL28438892

SCHEMBL28438892

NC(CO)CCCNC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.39
ENPEP Q07075 4/20 0.35
DPP7 Q9UHL4 2/20 0.35
DDAH1 O94760 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
LTA4H P09960 1/20 0.33
RRM1 P23921 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31

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
SCHEMBL3174844 1.00 OTC (0.39) OTCENPEPDPP7DDAH1MEN1
SCHEMBL4317858 0.94 DPP7 (0.38) OTCENPEPDPP7LTA4HRRM1
SCHEMBL6191507 0.94 DPP7 (0.38) OTCENPEPDPP7LTA4HRRM1
SCHEMBL4317849 0.94 DPP7 (0.38) OTCENPEPDPP7LTA4HRRM1
SCHEMBL18983120 0.87 CYP2D6 (0.34) OTCENPEPLTA4HCYP2D6CYP2C19
SCHEMBL18983138 0.87 CYP2D6 (0.34) OTCENPEPLTA4HCYP2D6CYP2C19
SCHEMBL3180087 0.86 OTC (0.38) OTCENPEPDPP7DDAH1MEN1
Hydrochloric Acid SCHEMBL4858131 0.85 LTA4H (0.33) ENPEPLTA4HCYP2D6CYP2C19
SCHEMBL30309849 0.83 DPP7 (0.35) OTCENPEPDPP7DDAH1MEN1
SCHEMBL20358148 0.78 GNAI3 (0.40) OTCENPEPDPP7RRM1ALDH1A1

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
CN-111511740-A Amide substituted imidazo [4,5-C ] quinoline compounds with branched linking groups for use as immune response modifiers 3M创新有限公司 2020-08-07 CN disclosed