SCHEMBL28887174

SCHEMBL28887174

CCN(CC)C(=O)C=Cc1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
HSD11B1 P28845 1/20 0.56
MAOB P27338 4/20 0.56
MAOA P21397 3/20 0.56
TRPM8 Q7Z2W7 2/20 0.55
LTB4R Q15722 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.53
RAB9A P51151 1/20 0.52
TNFRSF1A P19438 1/20 0.51
TRPA1 O75762 2/20 0.50
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
SNCA P37840 1/20 0.48

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
SCHEMBL31228779 0.84 NPC1 (0.72) NPC1L3MBTL1HSD11B1MAOBMAOA
SCHEMBL31228704 0.84 NPC1 (0.72) NPC1L3MBTL1HSD11B1MAOBMAOA
SCHEMBL28501196 0.84 NPC1 (0.72) NPC1L3MBTL1MAOBMAOATRPM8
SCHEMBL28375634 0.84 ALDH1A1 (0.54) NPC1L3MBTL1HSD11B1TNFRSF1ATRPA1
SCHEMBL28514351 0.83 NPC1 (0.70) NPC1L3MBTL1MAOBMAOATRPM8
SCHEMBL7245709 0.83 L3MBTL1 (0.70) NPC1L3MBTL1MAOBMAOATRPM8
SCHEMBL7245706 0.83 L3MBTL1 (0.70) NPC1L3MBTL1MAOBMAOATRPM8
N,N-Diethylcinnamamide SCHEMBL23550023 0.82 NPC1 (1.00) NPC1L3MBTL1TRPM8LTB4RLTB4R2
N,N-Diethylcinnamamide SCHEMBL4956221 0.82 NPC1 (1.00) NPC1L3MBTL1TRPM8LTB4RLTB4R2
N,N-Diethylcinnamamide SCHEMBL4956226 0.82 NPC1 (1.00) NPC1L3MBTL1TRPM8LTB4RLTB4R2

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
CN-111018735-B Preparation method of cinnamamide compound 河南农业大学 2021-09-07 CN disclosed
CN-111018735-A Preparation method of cinnamamide 河南农业大学 2020-04-17 CN disclosed