SCHEMBL5611617

SCHEMBL5611617

c1cc(CN2CCCNCCCNCCNCC2)ccc1CN1CCCNCCCNCCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 16/20 1.00
HRH3 Q9Y5N1 2/20 1.00
MEN1 O00255 1/20 1.00
CHRM2 P08172 1/20 1.00
CHRM1 P11229 1/20 1.00
ADRA2C P18825 1/20 1.00
CCR2 P41597 1/20 1.00
CXCL12 P48061 1/20 1.00
BLM P54132 1/20 1.00
KMT2A Q03164 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
SIGMAR1 Q99720 2/20 0.63

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
Plerixafor SCHEMBL19038 1.00 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL29490414 1.00 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7610931 0.98 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7612104 0.98 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL414153 0.98 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL6889125 0.98 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL123040 0.96 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL1649655 0.96 CXCR4 (0.93) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL14065686 0.96 CXCR4 (0.93) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL5680189 0.96 CXCR4 (0.93) CXCR4HRH3MEN1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709991-A1 USE OF CXCR4 ANTAGONISTS Genzyme Corporation (US) 2014-03-26 EP claimed
WO-2012158707-A1 USE OF CXCR4 ANTAGONISTS GENZYME CORPORATION (US) 2012-11-22 WO claimed
EP-4308694-A1 DOSING REGIMENS FOR HEMATOPOIETIC STEM CELL MOBILIZATION FOR STEM CELL TRANSPLANTS IN MULTIPLE MYELOMA PATIENTS Magenta Therapeutics, Inc. (US) 2024-01-24 EP disclosed
CN-115997009-A Methods and compositions for in vivo transduction of hematopoietic stem and progenitor cells 美真达治疗公司 2023-04-21 CN disclosed
WO-2022197776-A1 DOSING REGIMENS FOR HEMATOPOIETIC STEM CELL MOBILIZATION FOR STEM CELL TRANSPLANTS IN MULTIPLE MYELOMA PATIENTS Magenta Therapeutics, Inc. (US) 2022-09-22 WO disclosed
EP-3720494-A2 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS Magenta Therapeutics, Inc. (US) 2020-10-14 EP disclosed
WO-2019113375-A2 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS Magenta Therapeutics, Inc. (US) 2019-06-13 WO disclosed
EP-3302710-A1 MOBILIZING AGENTS AND USES THEREFOR The University of Queensland (AU) 2018-04-11 EP disclosed
WO-2016191811-A1 MOBILIZING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-12-08 WO disclosed
EP-2709991-A1 USE OF CXCR4 ANTAGONISTS Genzyme Corporation (US) 2014-03-26 EP disclosed
WO-2012158707-A1 USE OF CXCR4 ANTAGONISTS GENZYME CORPORATION (US) 2012-11-22 WO disclosed
EP-1411918-A4 METHODS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC (CA) 2007-11-14 EP disclosed
EP-1411918-A2 METHODS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2004-04-28 EP disclosed
WO-2003011277-A2 METHODS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2003-02-13 WO disclosed