SCHEMBL2322679

SCHEMBL2322679

CCN(CC)c1ccc(N[C]=O)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
AOC3 Q16853 1/20 0.42
DGAT1 O75907 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HCAR3 P49019 1/20 0.36
MAPT P10636 6/20 0.36
CACNA1H O95180 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NOX1 Q9Y5S8 1/20 0.35
MAPK1 P28482 3/20 0.35
HTT P42858 3/20 0.35
TSHR P16473 2/20 0.35
GFER P55789 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
VCP P55072 1/20 0.35
GAA P10253 2/20 0.34

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
SCHEMBL27833127 0.79 GBA1 (0.56) GBA1AOC3DGAT1MEN1KMT2A
SCHEMBL2322685 0.77 GBA1 (0.50) GBA1AOC3DGAT1MEN1KMT2A
Hydrochloric Acid SCHEMBL11157402 0.76 GBA1 (0.53) GBA1AOC3DGAT1MEN1KMT2A
SCHEMBL224555 0.74 MAPT (0.55) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL10622006 0.72 GBA1 (0.62) GBA1AOC3MEN1KMT2AALDH1A1
SCHEMBL179288 0.72 GBA1 (0.62) GBA1AOC3KMT2AHCAR3KDM4E
SCHEMBL21628214 0.71 GBA1 (0.47) GBA1AOC3DGAT1MEN1KMT2A
SCHEMBL29636439 0.71 GBA1 (0.47) GBA1AOC3DGAT1MEN1KMT2A
SCHEMBL3054038 0.71 AURKA (0.54) GBA1AOC3MEN1KMT2AALDH1A1
SCHEMBL17274025 0.71 GBA1 (0.60) GBA1AOC3KMT2AALDH1A1HCAR3

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-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed