SCHEMBL29823432

SCHEMBL29823432

c1ccc(CN2CCC(N(Cc3ccc(CNCc4ccccn4)cc3)Cc3ccccn3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 7/20 0.49
▸ SIGMAR1 Q99720 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ BCHE P06276 8/20 0.42
▸ ACHE P22303 8/20 0.42
▸ BACE1 P56817 8/20 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
SCHEMBL1877188 1.00 CXCR4 (0.49) CXCR4SIGMAR1CYP3A4CYP2D6BCHE
SCHEMBL1877208 0.92 ALDH1A1 (0.43) CXCR4SIGMAR1BCHEACHEBACE1
SCHEMBL29823258 0.92 ALDH1A1 (0.43) CXCR4SIGMAR1BCHEACHEBACE1
SCHEMBL29823344 0.85 CXCR4 (0.51) CXCR4SIGMAR1CYP3A4BCHEACHE
SCHEMBL1879660 0.85 CXCR4 (0.51) CXCR4SIGMAR1CYP3A4BCHEACHE
SCHEMBL29823986 0.84 MEN1 (0.41) CXCR4SIGMAR1CYP3A4CYP2D6BCHE
SCHEMBL1872883 0.84 MEN1 (0.41) CXCR4SIGMAR1CYP3A4CYP2D6BCHE
SCHEMBL1871880 0.80 CXCR4 (0.49) CXCR4SIGMAR1CYP3A4CYP2D6
SCHEMBL1886813 0.80 HRH3 (0.45) CXCR4CYP3A4CYP2D6
SCHEMBL29823561 0.77 SIGMAR1 (0.45) CXCR4SIGMAR1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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