SCHEMBL29823527

SCHEMBL29823527

O=C(NN1CCC(N(Cc2ccc(CNCc3ccccn3)cc2)Cc2ccccn2)CC1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.42
▸ AMY1A P0DUB6 1/20 0.42
▸ CXCR4 P61073 5/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNA7 P36544 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CXCR3 P49682 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ PREP P48147 1/20 0.35
▸ FAP Q12884 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL1874610 1.00 MGAM (0.42) MGAMAMY1ACXCR4CYP3A4CYP2D6
SCHEMBL1880362 0.84 KMT2A (0.45) CXCR4CYP3A4CYP2D6TSHRL3MBTL1
SCHEMBL1874843 0.83 CXCR4 (0.39) CXCR4CYP3A4CYP2D6CXCR3L3MBTL1
SCHEMBL1879149 0.80 CXCR4 (0.41) CXCR4CYP3A4CYP2D6CXCR3L3MBTL1
SCHEMBL29823485 0.76 TSHR (0.56) TSHRALDH1A1
SCHEMBL1875194 0.76 TSHR (0.56) TSHRALDH1A1
SCHEMBL1886813 0.75 HRH3 (0.45) CXCR4CYP3A4CYP2D6TSHRL3MBTL1
SCHEMBL1879072 0.73 L3MBTL1 (0.39) CXCR4CYP3A4CYP2D6TSHRL3MBTL1
SCHEMBL29823432 0.72 CXCR4 (0.49) CXCR4CYP3A4CYP2D6
SCHEMBL1877188 0.72 CXCR4 (0.49) 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 5 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
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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