SCHEMBL16400171

SCHEMBL16400171

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 8/20 0.48
ACHE P22303 3/20 0.48
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.41
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
CFTR P13569 1/20 0.38
NPC1 O15118 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
SLC22A1 O15245 1/20 0.37
HTR3B O95264 1/20 0.37
LMNA P02545 1/20 0.37
MPO P05164 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL17709617 0.83 KDM4E (0.51) HTR4ACHEKDM4EGAAALDH1A1
SCHEMBL7801336 0.82 ALDH1A1 (0.54) HTR4ACHEKDM4EGAAALDH1A1
SCHEMBL16401736 0.82 HTR4 (0.48) HTR4ACHEKDM4EGAAALDH1A1
SCHEMBL16403156 0.82 GAA (0.68) HTR4ACHEGAAALDH1A1NPC1
SCHEMBL16403724 0.82 ACHE (0.54) HTR4ACHEKDM4EGAAALDH1A1
SCHEMBL2596444 0.81 GAA (0.66) HTR4ACHEKDM4EGAAALDH1A1
SCHEMBL12677220 0.79 KDM4E (0.47) HTR4ACHEKDM4EGAAALDH1A1
SCHEMBL23015575 0.78 HTR4 (0.55) HTR4ACHEKDM4EGAAALDH1A1
SCHEMBL22022518 0.75 ALDH1A1 (0.68) HTR4ACHEKDM4EGAAALDH1A1
SCHEMBL23874532 0.74 GAA (0.61) KDM4EGAAALDH1A1CASP1CASP7

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