SCHEMBL3813271

SCHEMBL3813271

CN(CCO)CCOCCc1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
KDM4E B2RXH2 2/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CDYL Q9Y232 1/20 0.47
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
SLC6A4 P31645 3/20 0.43
ACHE P22303 2/20 0.41
LMNA P02545 2/20 0.40
NR1I2 O75469 1/20 0.40
ADRA2A P08913 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL3807751 0.84 HTR1B (0.55) ALDH1A1KDM4EMEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL3813438 0.82 HTR1B (0.54) ALDH1A1KDM4EMEN1KMT2ACYP2D6
SCHEMBL4521520 0.82 MTNR1A (0.45) ALDH1A1KDM4EMEN1KMT2ACYP2D6
SCHEMBL586305 0.80 CYP1A2 (0.52) CYP2D6CYP1A2CYP2C19CDYL
SCHEMBL14814398 0.79 CNR1 (0.43) ALDH1A1KDM4ECYP1A2CYP2C19CDYL
SCHEMBL3815489 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AHTR1D
SCHEMBL3813019 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL11052717 0.79 CYP1A2 (0.46) KDM4ECYP2D6CYP1A2CYP2C19CDYL
SCHEMBL3813478 0.78 CDYL (0.64) ALDH1A1KDM4EMEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL3808267 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 EP disclosed