SCHEMBL29823344

SCHEMBL29823344

c1ccc(CN2CCC(N(CCc3ccccn3)Cc3ccc(CNCc4ccccn4)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 5/20 0.51
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ HTR5A P47898 1/20 0.44
▸ BCHE P06276 3/20 0.43
▸ ACHE P22303 3/20 0.43
▸ BACE1 P56817 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ CTNNB1 P35222 1/20 0.41
▸ TCF7L2 Q9NQB0 1/20 0.41

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
SCHEMBL1879660 1.00 CXCR4 (0.51) CXCR4KMT2AMEN1RAB9ASIGMAR1
SCHEMBL29823986 0.87 MEN1 (0.41) CXCR4KMT2AMEN1RAB9ASIGMAR1
SCHEMBL1872883 0.87 MEN1 (0.41) CXCR4KMT2AMEN1RAB9ASIGMAR1
SCHEMBL29823432 0.85 CXCR4 (0.49) CXCR4SIGMAR1BCHEACHEBACE1
SCHEMBL1877188 0.85 CXCR4 (0.49) CXCR4SIGMAR1BCHEACHEBACE1
SCHEMBL5790256 0.81 KMT2A (0.41) CXCR4KMT2AMEN1RAB9AKDM4E
SCHEMBL29823211 0.80 KMT2A (0.50) KMT2AMEN1RAB9AALDH1A1
SCHEMBL1873995 0.80 KMT2A (0.50) KMT2AMEN1RAB9AALDH1A1
SCHEMBL1877208 0.78 ALDH1A1 (0.43) CXCR4KMT2AMEN1SIGMAR1BCHE
SCHEMBL29823258 0.78 ALDH1A1 (0.43) CXCR4KMT2AMEN1SIGMAR1BCHE

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
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
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
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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