SCHEMBL30782001

SCHEMBL30782001

NC(=O)N1CC(c2ncccn2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
PDE10A Q9Y233 4/20 0.36
NAMPT P43490 1/20 0.36
PARP1 P09874 1/20 0.35
LTA4H P09960 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM1 Q13255 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
PDE9A O76083 3/20 0.34
HSD11B1 P28845 1/20 0.34
ADRA1A P35348 1/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE1C Q14123 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
SCHEMBL1740546 0.82 PDE10A (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Carbamic Acid SCHEMBL9705391 0.73 KDM4E (0.45) L3MBTL1
SCHEMBL30574216 0.73 SLC6A7 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL29640084 0.71 HSD11B1 (0.59) NAMPTHSD11B1SCD5
SCHEMBL30782004 0.71 RAB9A (0.49) SCDSCD5
SCHEMBL17620844 0.70 KDM5A (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9292159 0.69 KDM4E (0.42) LTA4H
SCHEMBL9292157 0.69 KDM4E (0.42) LTA4H
SCHEMBL13075977 0.69 OPRM1 (0.36) HRH4ADRA1A
SCHEMBL9596851 0.68 KDM5A (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-117396473-A Imidazopyridinyl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 CN disclosed