SCHEMBL4636682

SCHEMBL4636682

c1ccc(N2CCN(C3CCCC[N]3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.54
GRIN2B Q13224 1/20 0.47
MBTD1 Q05BQ5 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MCOLN2 Q8IZK6 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
MCOLN1 Q9GZU1 1/20 0.44
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
DRD4 P21917 2/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13648726 0.75 L3MBTL3 (0.72) SLC18A3GRIN2BMBTD1L3MBTL3L3MBTL1
SCHEMBL11555679 0.75 GRIN2B (0.42) SLC18A3GRIN2BMBTD1L3MBTL3L3MBTL1
SCHEMBL11560634 0.75 SLC18A3 (0.52) SLC18A3GRIN2BMBTD1L3MBTL3L3MBTL1
SCHEMBL8584491 0.74 L3MBTL3 (0.70) SLC18A3GRIN2BMBTD1L3MBTL3L3MBTL1
SCHEMBL22848097 0.74 L3MBTL3 (0.70) SLC18A3GRIN2BMBTD1L3MBTL3L3MBTL1
SCHEMBL22848095 0.74 L3MBTL3 (0.70) SLC18A3GRIN2BMBTD1L3MBTL3L3MBTL1
SCHEMBL2380225 0.74 ALDH1A1 (0.43) SLC18A3GRIN2BMBTD1L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL8814411 0.73 L3MBTL3 (0.68) SLC18A3GRIN2BMBTD1L3MBTL3L3MBTL1
SCHEMBL1428236 0.72
SCHEMBL2176945 0.72 L3MBTL3 (0.45) SLC18A3GRIN2BMBTD1L3MBTL3L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464641-B1 4-Phenyl-piperazinyl, -piperidinyl and tetrahydropyridyl derivatives as dopamine D4 antagonists LUNDBECK & CO AS H (DK) 2008-05-14 EP disclosed
EP-1464641-A1 4-Phenyl-piperazinyl, -piperidinyl and tetrahydropyridyl derivatives as dopamine D4 antagonists H. Lundbeck A/S (DK) 2004-10-06 EP disclosed
US-4148895-A HYPOTENSIVE, ANTIARRHYMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-10 US disclosed