SCHEMBL9485148

SCHEMBL9485148

Nc1c(Cl)cc(C(=O)NC[C@@H]2CCCN2)c2c1CCO2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.54
HTR3A P46098 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
HTR1A P08908 1/20 0.49
ADRA2C P18825 1/20 0.49
ACHE P22303 1/20 0.49
PTGS1 P23219 1/20 0.49
ADRA1A P35348 1/20 0.49
KCNH2 Q12809 1/20 0.49
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
IKBKB O14920 1/20 0.39

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
SCHEMBL6670826 1.00 HTR4 (0.54) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL9747917 1.00 HTR4 (0.54) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL10509714 0.99 HTR4 (0.53) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL8785455 0.99 HTR4 (0.53) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL8854670 0.99 HTR4 (0.53) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL10424828 0.90 HTR4 (0.54) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL9406550 0.86 DRD2 (0.43) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL9484796 0.82 HTR3A (0.49) HTR3ADRD2DRD3
SCHEMBL8854554 0.82 HTR3A (0.49) HTR3ADRD2DRD3
Hydrochloric Acid SCHEMBL10399328 0.81 HTR3A (0.48) HTR3ADRD2DRD3

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
US-5225407-A Cognition activators GLAXO GROUP LIMITED (GB) 1993-07-06 US disclosed
EP-0450757-A2 Use of 5-hydroxytryptamine-antagonists in the treatment of mental disorders originating in childhood GLAXO GROUP LIMITED (GB) 1991-10-09 EP disclosed