SCHEMBL21264151

SCHEMBL21264151

CCCN(CCCN(CC)CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.74
MAPT P10636 3/20 0.74
SCN3A Q9NY46 3/20 0.74
ALDH1A1 P00352 3/20 0.74
CYP3A4 P08684 1/20 0.74
MAPK1 P28482 1/20 0.74
MC4R P32245 1/20 0.74
SCN4A P35499 1/20 0.74
MC3R P41968 1/20 0.74
HTR3A P46098 1/20 0.74
SCN5A Q14524 1/20 0.74
SCN9A Q15858 1/20 0.74
BLM P54132 2/20 0.72
GAA P10253 2/20 0.72
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPSR1 Q6W5P4 2/20 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
SCHEMBL21261870 0.96 LMNA (0.72) LMNAMAPTSCN3AALDH1A1CYP3A4
SCHEMBL21264270 0.95 MAPT (0.74) LMNAMAPTSCN3AALDH1A1CYP3A4
SCHEMBL16709550 0.94 LMNA (0.82) LMNAMAPTSCN3AALDH1A1CYP3A4
SCHEMBL16677167 0.92 MAPT (0.78) LMNAMAPTSCN3AALDH1A1CYP3A4
SCHEMBL21264244 0.92 LMNA (0.68) LMNAMAPTSCN3AALDH1A1CYP3A4
SCHEMBL21264241 0.92 LMNA (0.77) LMNAMAPTSCN3AALDH1A1CYP3A4
SCHEMBL21264265 0.91 MAPT (0.72) LMNAMAPTSCN3AALDH1A1CYP3A4
SCHEMBL21261956 0.91 MAPT (0.72) LMNAMAPTSCN3AALDH1A1CYP3A4
SCHEMBL22781742 0.90 LMNA (0.64) LMNAMAPTSCN3AALDH1A1CYP3A4
SCHEMBL21261951 0.90 MAPT (0.80) LMNAMAPTSCN3AALDH1A1CYP3A4

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-2019154287-A1 QUATERNARY AMMONIUM SALT COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川大学华西医院 2019-08-15 WO disclosed