SCHEMBL1459342

SCHEMBL1459342

O=C(Nc1cccc(Br)c1)Nc1ccc2cc(C(=O)NC3CN4CCC3CC4)sc2c1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.76
CHRNA7 P36544 15/20 0.71
HTR3E A5X5Y0 1/20 0.64
HTR3B O95264 1/20 0.64
HTR3D Q70Z44 1/20 0.64
HTR3C Q8WXA8 1/20 0.64

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
SCHEMBL1101795 1.00 HTR3A (0.76) HTR3ACHRNA7HTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL1091297 0.99 HTR3A (0.75) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL1101986 0.91 HTR3A (0.78) HTR3ACHRNA7HTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL1090845 0.90 HTR3A (0.77) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL20131925 0.87 HTR3A (0.83) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL15796777 0.86 HTR3A (0.75) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL1101798 0.86 HTR3A (0.73) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL1101794 0.86 HTR3A (1.00) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL1101796 0.86 HTR3A (0.75) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL1101784 0.86 HTR3A (1.00) HTR3ACHRNA7HTR3EHTR3BHTR3D

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-2480228-A1 USE OF NICOTINIC ACETYLCHOLINE RECEPTOR ALPHA 7 ACTIVATORS Novartis AG (CH) 2012-08-01 EP disclosed
WO-2011036167-A1 USE OF NICOTINIC ACETYLCHOLINE RECEPTOR ALPHA 7 ACTIVATORS NOVARTIS AG (CH) 2011-03-31 WO disclosed