SCHEMBL8628601

SCHEMBL8628601

c1ccc(NCCCNCCCCCCCCNCCCNc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.77
MAPT P10636 1/20 0.77
SIGMAR1 Q99720 6/20 0.54
CHRM2 P08172 2/20 0.54
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
MAOA P21397 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
DRD4 P21917 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
SCHEMBL5139921 0.95 ALDH1A1 (0.85) ALDH1A1MAPTSIGMAR1CHRM2GRIN1
SCHEMBL14968385 0.91 ALDH1A1 (0.84) ALDH1A1MAPTSIGMAR1CHRM2MAOA
SCHEMBL4643729 0.91 ALDH1A1 (0.84) ALDH1A1MAPTSIGMAR1CHRM2MAOA
SCHEMBL4104788 0.91 ALDH1A1 (0.84) ALDH1A1MAPTSIGMAR1CHRM2MAOA
SCHEMBL11759173 0.91 ALDH1A1 (0.84) ALDH1A1MAPTSIGMAR1CHRM2MAOA
Bromide SCHEMBL28355691 0.88 ALDH1A1 (0.80) ALDH1A1MAPTSIGMAR1CHRM2MAOA
SCHEMBL2065279 0.88 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1DRD4
SCHEMBL4970157 0.88 ALDH1A1 (0.89) ALDH1A1MAPTL3MBTL1
SCHEMBL19019171 0.88 MAPT (0.65) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL3634998 0.85 ALDH1A1 (0.94) ALDH1A1MAPTL3MBTL1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719193-A Method of potentiating cell-mediated immunity utilizing polyamine derivatives MERRELL PHARMACEUTICALS, INC. (US) 1998-02-17 US claimed
US-5753714-A ANTIPROTOZOA AGENTS MERRELL PHARMACEUTICALS INC. (US) 1998-05-19 US disclosed
US-5719193-A Method of potentiating cell-mediated immunity utilizing polyamine derivatives MERRELL PHARMACEUTICALS, INC. (US) 1998-02-17 US disclosed
EP-0399519-B1 Potentiating cell-mediated immunity utilizing polyamine derivatives MERRELL PHARMA INC (US) 1996-08-07 EP disclosed
EP-0662829-A1 POLYAMINE DERIVATIVES AS ANTI-CYTOMEGALOVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-07-19 EP disclosed
WO-1994007480-A1 POLYAMINE DERIVATIVES AS ANTI-CYTOMEGALOVIRAL AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-04-14 WO disclosed
EP-0277635-B1 Novel polyamine derivatives MERRELL DOW PHARMA (US) 1994-01-05 EP disclosed
EP-0399519-A2 Potentiating cell-mediated immunity utilizing polyamine derivatives MERRELL PHARMACEUTICALS INC. (US) 1990-11-28 EP disclosed
EP-0277635-A2 Novel polyamine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-10 EP disclosed