SCHEMBL28366279

SCHEMBL28366279

Nc1cc(F)c(C(=O)CCC2CCN(CC3CCCCC3)CC2)cc1Cl

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 18/20 0.79
HTR4 Q13639 17/20 0.79
SIGMAR1 Q99720 1/20 0.73

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
SCHEMBL17709613 0.88 ACHE (1.00) ACHEHTR4SIGMAR1
SCHEMBL30139057 0.85 ACHE (1.00) ACHEHTR4SIGMAR1
SCHEMBL17709631 0.85 ACHE (1.00) ACHEHTR4SIGMAR1
SCHEMBL17709636 0.85 ACHE (1.00) ACHEHTR4SIGMAR1
SCHEMBL17709621 0.84 ACHE (1.00) ACHEHTR4SIGMAR1
SCHEMBL17709615 0.83 HTR4 (1.00) ACHEHTR4SIGMAR1
SCHEMBL17709635 0.83 HTR4 (1.00) ACHEHTR4SIGMAR1
SCHEMBL17709620 0.81 HTR4 (1.00) ACHEHTR4SIGMAR1
SCHEMBL6334014 0.80 ACHE (0.68) ACHEHTR4SIGMAR1
SCHEMBL17709634 0.79 HTR4 (1.00) ACHEHTR4SIGMAR1

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
CN-105705488-B Compounds of acetylcholinesterase inhibitors and 5-hydroxytryptamine receptor 4 agonists, process for their preparation and pharmaceutical compositions thereof 卡昂大学 2020-03-24 CN disclosed