SCHEMBL29823345

SCHEMBL29823345

c1ccc(CNCc2ccc(CN(Cc3ccncc3)C3CCCCc4cccnc43)cc2)nc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 0.71
CYP3A4 P08684 14/20 0.68
CYP2D6 P10635 14/20 0.68

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
SCHEMBL1875400 1.00 CXCR4 (0.71) CXCR4CYP3A4CYP2D6
SCHEMBL1874663 0.98 CXCR4 (0.73) CXCR4CYP3A4CYP2D6
SCHEMBL29823471 0.98 CXCR4 (0.73) CXCR4CYP3A4CYP2D6
SCHEMBL3313999 0.94 CXCR4 (0.73) CXCR4CYP3A4CYP2D6
Bromide SCHEMBL4543519 0.93 CXCR4 (0.72) CXCR4CYP3A4CYP2D6
SCHEMBL1875171 0.92 CXCR4 (0.76) CXCR4CYP3A4CYP2D6
SCHEMBL29823490 0.92 CXCR4 (0.76) CXCR4CYP3A4CYP2D6
SCHEMBL29823322 0.92 CXCR4 (0.76) CXCR4CYP3A4CYP2D6
SCHEMBL1877199 0.92 CXCR4 (0.76) CXCR4CYP3A4CYP2D6
SCHEMBL1879283 0.92 CXCR4 (0.68) CXCR4CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025230907-A1 A CXCR4 ANTAGONIST, A STATS ACTIVATOR, AND/OR AN AGENT THAT INCREASES NITRIC OXIDE CONTENT FOR USE IN METHODS OF IMPROVING NERVE REGENERATION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-11-06 WO disclosed
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
EP-4143302-A1 METHODS AND COMPOSITIONS FOR TRANSDUCING HEMATOPOIETIC STEM AND PROGENITOR CELLS IN VIVO Magenta Therapeutics, Inc. (US) 2023-03-08 EP 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-4051298-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENTOR CELLS Magenta Therapeutics, Inc. (US) 2022-09-07 EP disclosed