SCHEMBL14415499

SCHEMBL14415499

O=S(=O)(c1ccccc1)N1CCc2c(OCCN3CCOCC3)cccc21

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.62
▸ DRD3 P35462 5/20 0.53
▸ DRD2 P14416 3/20 0.53
▸ HRH3 Q9Y5N1 2/20 0.50
▸ POLB P06746 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD5 P21918 1/20 0.48
▸ BCHE P06276 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ OXTR P30559 1/20 0.45
▸ AVPR1A P37288 1/20 0.45

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
SCHEMBL14415236 0.89 HTR6 (0.64) HTR6DRD3DRD2HRH3KDM4E
SCHEMBL13711071 0.79 HTR6 (0.66) HTR6DRD3DRD2HRH3BCHE
SCHEMBL5960063 0.75 HTR6 (0.62) HTR6DRD3DRD2HRH3
SCHEMBL5759716 0.74 HTR6 (0.62) HTR6DRD2BCHE
Hydrochloric Acid SCHEMBL4077364 0.74 HTR6 (0.61) HTR6DRD2BCHE
SCHEMBL7007212 0.69 POLB (0.56) POLBKDM4EDRD1DRD4DRD5
SCHEMBL14578233 0.69 DRD1 (0.65) POLBKDM4EDRD1DRD4DRD5
SCHEMBL4649197 0.69 HTR2A (0.49) HTR6DRD2POLBKDM4EDRD1
SCHEMBL14302660 0.68 HTR6 (0.76) HTR6DRD3DRD2HRH3
SCHEMBL6042440 0.68 POLB (0.68) DRD3DRD2POLBKDM4EDRD1

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
US-7271180-B2 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-09-18 — — US disclosed
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