SCHEMBL16403156

SCHEMBL16403156

COc1cc(N)c(Cl)cc1C(=O)CC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
HTR4 Q13639 12/20 0.55
HTR3A P46098 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
HTR3E A5X5Y0 2/20 0.54
HTR3B O95264 2/20 0.54
HTR3D Q70Z44 2/20 0.54
HTR3C Q8WXA8 2/20 0.54
SLC22A1 O15245 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MPO P05164 1/20 0.54
ADRA2A P08913 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD4 P21917 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
DRD3 P35462 1/20 0.54

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
SCHEMBL17709612 0.83 GAA (0.61) GAAHTR4HTR3ACYP1A2CYP2D6
SCHEMBL99019 0.82 GAA (0.73) GAAHTR4HTR3ACYP1A2CYP2D6
SCHEMBL16403724 0.82 ACHE (0.54) GAAHTR4HTR3ACYP1A2CYP2D6
SCHEMBL16401736 0.82 HTR4 (0.48) GAAHTR4HTR3ACYP1A2CYP2D6
SCHEMBL16400171 0.82 HTR4 (0.48) GAAHTR4HTR3ACYP1A2CYP2D6
SCHEMBL7751850 0.81 GAA (0.71) GAAHTR4HTR3ACYP1A2CYP2D6
SCHEMBL17069856 0.81 HTR4 (0.64) GAAHTR4HTR3ACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7442414 0.81 GAA (0.71) GAAHTR4HTR3ACYP1A2CYP2D6
SCHEMBL384749 0.81 GAA (1.00) GAAHTR4HTR3ACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7405359 0.80 GAA (0.97) GAAHTR4HTR3ACYP1A2CYP2D6

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-3004058-B1 ACETYLCHOLINESTERASE INHIBITOR COMPOUNDS AND 5HT4 SEROTONERGIC RECEPTOR AGONISTS, WITH PROMNESIA EFFECT, METHODS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME UNIV DE CAEN (FR) 2020-06-10 EP disclosed
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