SCHEMBL4039008

SCHEMBL4039008

Cc1cnc(CN(CCc2ccccn2)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
GPR119 Q8TDV5 7/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CCR3 P51677 1/20 0.42
PDE10A Q9Y233 1/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 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
SCHEMBL4541280 0.87 CCR3 (0.45) LMNAMEN1KMT2ACCR3POLB
SCHEMBL2086372 0.83 MEN1 (0.45) LMNATHRBGPR119MEN1KMT2A
SCHEMBL2086585 0.82 MEN1 (0.43) LMNATHRBGPR119MEN1KMT2A
SCHEMBL2084109 0.82 MEN1 (0.41) LMNATHRBGPR119MEN1KMT2A
SCHEMBL2084361 0.81 MEN1 (0.45) LMNATHRBGPR119MEN1KMT2A
SCHEMBL2083960 0.80 CXCR4 (0.45) LMNATHRBGPR119MEN1KMT2A
SCHEMBL4030263 0.78 SLC6A2 (0.46) POLB
SCHEMBL2082179 0.78 GPR119 (0.51) GPR119MEN1KMT2APOLB
SCHEMBL2084212 0.78 MEN1 (0.44) LMNAGPR119MEN1KMT2ATP53
SCHEMBL2083669 0.78 MEN1 (0.44) LMNATHRBGPR119MEN1KMT2A

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-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed