SCHEMBL16403622

SCHEMBL16403622

CCCCN1CCC(C(C(C)=O)c2ccc(N)cc2OC)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 15/20 0.59
ACHE P22303 5/20 0.59
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2C P18825 1/20 0.49
CHRM3 P20309 1/20 0.49
HTR1D P28221 1/20 0.49
ADRA1B P35368 1/20 0.49
HTR2B P41595 1/20 0.49
HTR3A P46098 1/20 0.49
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3230374 0.83 HTR4 (0.61) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL7259567 0.80 HTR4 (0.42) HTR4ACHECHRM4CHRM5ADRA2C
Hydrochloric Acid SCHEMBL8971273 0.79 HTR4 (0.61) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL7254150 0.75 HTR4 (0.45) HTR4ACHECHRM4CHRM5ADRA2C
SCHEMBL17709619 0.74 HTR4 (1.00) HTR4ACHECHRM4CHRM5ADRA2C
SCHEMBL6784774 0.70 DRD2 (0.55) HTR4ACHECHRM4CHRM5ADRA2C
SCHEMBL4228413 0.69 HTR4 (0.49) HTR4ACHECHRM4CHRM5ADRA2C
SCHEMBL22022521 0.67 HTR4 (0.68) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL6692234 0.67 HTR4 (0.52) HTR4ACHEMEN1ALDH1A1KMT2A
SCHEMBL4437515 0.67 HTR4 (0.54) HTR4ACHEMEN1ALDH1A1CYP2D6

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
EP-3004058-A2 ACETYLCHOLINESTERASE INHIBITOR COMPOUNDS AND 5HT4 SEROTONERGIC RECEPTOR AGONISTS, WITH PROMNESIA EFFECT, METHODS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Université de Caen (FR) 2016-04-13 EP disclosed
WO-2014195593-A2 ACETYLCHOLINESTERASE INHIBITOR COMPOUNDS AND 5HT4 SEROTONERGIC RECEPTOR AGONISTS, WITH PROMNESIA EFFECT, METHODS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME UNIVERSITE DE CAEN (FR) 2014-12-11 WO disclosed