SCHEMBL31722272

SCHEMBL31722272

N[C@@H]1C[C@H](N)CN(Cc2ccc(CNCc3ccccn3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.56
▸ L3MBTL1 Q9Y468 6/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ TP53 P04637 1/20 0.42
▸ ALOX15 P16050 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ CA2 P00918 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMARCA2 P51531 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL3315031 1.00 CXCR4 (0.56) CXCR4L3MBTL1ALDH1A1TP53ALOX15
SCHEMBL1882687 1.00 CXCR4 (0.56) CXCR4L3MBTL1ALDH1A1TP53ALOX15
SCHEMBL3315026 1.00 CXCR4 (0.56) CXCR4L3MBTL1ALDH1A1TP53ALOX15
SCHEMBL1882689 1.00 CXCR4 (0.56) CXCR4L3MBTL1ALDH1A1TP53ALOX15
Bromide SCHEMBL4543101 0.99 CXCR4 (0.55) CXCR4L3MBTL1ALDH1A1TP53ALOX15
Bromide SCHEMBL4543211 0.99 CXCR4 (0.55) CXCR4L3MBTL1ALDH1A1TP53ALOX15
Bromide SCHEMBL4543106 0.99 CXCR4 (0.55) CXCR4L3MBTL1ALDH1A1TP53ALOX15
Bromide SCHEMBL4543215 0.99 CXCR4 (0.55) CXCR4L3MBTL1ALDH1A1TP53ALOX15
SCHEMBL29823450 0.90 CXCR4 (0.58) CXCR4L3MBTL1ALDH1A1TP53ALOX15
SCHEMBL1878715 0.90 CXCR4 (0.58) CXCR4L3MBTL1ALDH1A1TP53ALOX15

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 1 patent. 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
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