SCHEMBL6925802

SCHEMBL6925802

NCCCCN(CCCCN)[C@@H]1CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 8/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HTR2A P28223 2/20 0.43
RET P07949 1/20 0.43
DRD2 P14416 1/20 0.43
HRH1 P35367 1/20 0.42

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
SCHEMBL6929788 1.00 CXCR4 (0.47) CXCR4MAOAMAOBHTR2ARET
SCHEMBL6435421 1.00 CXCR4 (0.47) CXCR4MAOAMAOBHTR2ARET
SCHEMBL6930890 0.98 CXCR4 (0.47) CXCR4MAOAMAOBHTR2ARET
SCHEMBL8843210 0.92 CXCR4 (0.55) CXCR4DRD2
SCHEMBL6928850 0.87 CXCR4 (0.40) CXCR4MAOAMAOB
SCHEMBL9018937 0.80 DRD2 (0.65) MAOAMAOBDRD2
SCHEMBL6928124 0.80 DRD3 (0.39) CXCR4MAOAMAOBDRD2
SCHEMBL29269190 0.75 DRD2 (0.51) MAOAMAOBDRD2
SCHEMBL5679810 0.74 ALDH1A1 (0.46) CXCR4
SCHEMBL24503456 0.74 CXCR4 (0.76) CXCR4DRD2

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 7 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
WO-1997002027-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-01-23 WO disclosed