SCHEMBL6928172

SCHEMBL6928172

N=C(N)NCCCCNC1CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
BCHE P06276 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ACHE P22303 1/20 0.49
ADRA1A P35348 1/20 0.49
HTR6 P50406 1/20 0.49
EPHX2 P34913 4/20 0.48
PDPK1 O15530 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HTR2C P28335 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SLC18A3 Q16572 1/20 0.41
MPO P05164 1/20 0.41
FADS1 O60427 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
Hydrochloric Acid SCHEMBL6930816 0.99 MAOA (0.48) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL6926306 0.80 MAOA (0.56) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL21447835 0.79 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL6923878 0.79 MAOA (0.59) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL6928124 0.78 DRD3 (0.39) MAOAMAOBEPHX2ALDH1A1HTT
SCHEMBL7790275 0.78 NPY1R (0.44) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL172566 0.77 MAOA (0.60) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL10230666 0.77 MAOA (0.60) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL918896 0.77 MAOA (0.60) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL917662 0.77 MAOA (0.60) MAOAMAOBBCHEADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865276-A4 POLYAMINE DERIVATIVES OF 1-AMINOINDAN GILAD GAD (IL) 2003-07-30 EP claimed
EP-0865276-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN Gilad, Gad (IL) 1998-09-23 EP claimed
US-5646188-A FOR TREATING NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-07-08 US claimed
WO-1997002027-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-01-23 WO claimed
EP-0865276-A4 POLYAMINE DERIVATIVES OF 1-AMINOINDAN GILAD GAD (IL) 2003-07-30 EP disclosed
EP-0865276-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN Gilad, Gad (IL) 1998-09-23 EP disclosed
US-5646188-A FOR TREATING NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-07-08 US disclosed
WO-1997002027-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-01-23 WO disclosed