SCHEMBL29067296

SCHEMBL29067296

CC(C)(C)OC(=O)N(N)C(=O)c1ccc(N2CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.45
MAPT P10636 7/20 0.43
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 4/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALOX15 P16050 1/20 0.43
STAT1 P42224 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL978357 0.81 MAPT (0.44) GPR119MAPTRAB9AALDH1A1NPC1
SCHEMBL5737167 0.78 MAPT (0.42) MAPTALDH1A1NPC1TP53TSHR
SCHEMBL8159908 0.78 MAPT (0.51) GPR119MAPTRAB9AALDH1A1NPC1
SCHEMBL6916052 0.77 RAB9A (0.51) GPR119MAPTRAB9AALDH1A1NPC1
SCHEMBL4514786 0.76 ALDH1A1 (0.43) ALDH1A1HPGDTSHRSMN1; SMN2L3MBTL1
SCHEMBL6529111 0.74 GPR119 (0.46) GPR119HPGDSMN1; SMN2
SCHEMBL21596361 0.73 MAPT (0.48) MAPTRAB9AALDH1A1NPC1LMNA
SCHEMBL21750394 0.72 MAPT (0.56) GPR119MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL25320235 0.71 HDAC6 (0.55) MAPTRAB9AALDH1A1NPC1LMNA
SCHEMBL6749864 0.71 GPR119 (0.32) GPR119

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-116507607-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2023-07-28 CN disclosed