SCHEMBL14415236

SCHEMBL14415236

O=S(=O)(c1ccccc1)N1CCc2c(OCCN3CCCCC3)cccc21

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.64
▸ DRD3 P35462 7/20 0.55
▸ DRD2 P14416 5/20 0.55
▸ HRH3 Q9Y5N1 6/20 0.53
▸ BCHE P06276 1/20 0.51
▸ TSHR P16473 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HRH1 P35367 2/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD5 P21918 1/20 0.46

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
SCHEMBL14415499 0.89 HTR6 (0.62) HTR6DRD3DRD2HRH3BCHE
SCHEMBL13711071 0.81 HTR6 (0.66) HTR6DRD3DRD2HRH3BCHE
SCHEMBL5960063 0.77 HTR6 (0.62) HTR6DRD3DRD2HRH3SMN1; SMN2
SCHEMBL5106715 0.75 HRH3 (0.67) HTR6DRD3DRD2HRH3KDM4E
SCHEMBL5758025 0.73 HTR6 (0.64) HTR6DRD3DRD2BCHEHRH1
SCHEMBL5097432 0.73 HRH3 (0.70) HRH3KDM4E
Hydrochloric Acid SCHEMBL4082476 0.72 HTR6 (0.63) HTR6DRD3DRD2BCHEHRH1
SCHEMBL6109901 0.72 HRH3 (0.90) HTR6DRD3DRD2HRH3HRH1
SCHEMBL26437040 0.72 NPC1 (0.54) DRD3DRD2HRH3BCHEKDM4E
SCHEMBL5242307 0.72 HTR6 (0.65) HTR6DRD3DRD2BCHEHRH1

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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