SCHEMBL6928124

SCHEMBL6928124

N=C(N)NCCCCN(CCCCNC(=N)N)C1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
EPHX2 P34913 2/20 0.38
DRD2 P14416 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
CXCR4 P61073 1/20 0.37
ALDH1A1 P00352 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
ALB P02768 1/20 0.36

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
SCHEMBL6435421 0.80 CXCR4 (0.47) MAOAMAOBDRD2CXCR4
SCHEMBL6925802 0.80 CXCR4 (0.47) MAOAMAOBDRD2CXCR4
SCHEMBL6929788 0.80 CXCR4 (0.47) MAOAMAOBDRD2CXCR4
SCHEMBL6928850 0.80 CXCR4 (0.40) MAOAMAOBCXCR4
SCHEMBL6930890 0.78 CXCR4 (0.47) MAOAMAOBDRD2CXCR4
SCHEMBL6928172 0.78 MAOA (0.49) MAOAMAOBEPHX2ALDH1A1HTT
Hydrochloric Acid SCHEMBL6930816 0.77 MAOA (0.48) MAOAMAOBEPHX2ALDH1A1HTT
SCHEMBL8843210 0.73 CXCR4 (0.55) DRD2CXCR4
SCHEMBL7596716 0.71 TRPM8 (0.51) EPHX2TRPM8
SCHEMBL9018937 0.70 DRD2 (0.65) DRD3MAOAMAOBDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646188-A FOR TREATING NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-07-08 US 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