SCHEMBL5857248

SCHEMBL5857248

[H+].c1ccc2cc(OCCCCCN3CCCC3)ccc2c1

nearest known ligand 0.94

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.94
▸ DRD3 P35462 3/20 0.68
▸ KCNH2 Q12809 1/20 0.63
▸ HRH4 Q9H3N8 1/20 0.63
▸ SLC6A2 P23975 2/20 0.63
▸ SLC6A4 P31645 2/20 0.63
▸ DRD2 P14416 1/20 0.62
▸ ADRA1A P35348 1/20 0.62

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
SCHEMBL491968 0.98 HRH3 (0.97) HRH3DRD3KCNH2HRH4SLC6A2
SCHEMBL12741179 0.97 HRH3 (1.00) HRH3DRD3KCNH2HRH4
SCHEMBL14970452 0.91 HRH3 (0.89) HRH3DRD3KCNH2SLC6A2SLC6A4
SCHEMBL5288608 0.88 HRH3 (0.79) HRH3DRD3KCNH2HRH4
SCHEMBL5277527 0.87 HRH3 (0.79) HRH3DRD3DRD2ADRA1A
SCHEMBL30186207 0.86 HRH3 (0.81) HRH3DRD3SLC6A2SLC6A4
SCHEMBL11151279 0.86 HRH3 (0.81) HRH3DRD3SLC6A2SLC6A4
SCHEMBL491550 0.81 HRH3 (0.79) HRH3KCNH2HRH4
SCHEMBL492176 0.81 HRH3 (0.79) HRH3KCNH2HRH4
SCHEMBL5857700 0.81 HRH3 (0.94) HRH3KCNH2HRH4

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-7138413-B1 Administering tertiary amines, e.g., 3,3-Dimethylbutyl 3-piperidinopropyl ether, 3-Phenylpropyl 3-piperidinopropyl ether, or3-(4-Chlorophenyl)propyl 3-piperidinopropyl ether to treat cognitive disorders such as attention, wakefulness and memory disorders SOCIETE CIVILE BIOPROJET (FR) 2006-11-21 — — US disclosed
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