SCHEMBL6928850

SCHEMBL6928850

NCCCNCCCCN(CCCN)C1CCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
GRIN2B Q13224 3/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL6930890 0.89 CXCR4 (0.47) CXCR4MAOAMAOB
SCHEMBL6929788 0.87 CXCR4 (0.47) CXCR4MAOAMAOB
SCHEMBL6435421 0.87 CXCR4 (0.47) CXCR4MAOAMAOB
SCHEMBL6925802 0.87 CXCR4 (0.47) CXCR4MAOAMAOB
SCHEMBL8843210 0.81 CXCR4 (0.55) CXCR4
SCHEMBL6928124 0.80 DRD3 (0.39) CXCR4MAOAMAOB
SCHEMBL9018937 0.72 DRD2 (0.65) MAOAMAOB
SCHEMBL5679810 0.72 ALDH1A1 (0.46) CXCR4
SCHEMBL6926306 0.70 MAOA (0.56) MAOAMAOB
SCHEMBL29269190 0.68 DRD2 (0.51) MAOAMAOB

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