SCHEMBL7490798

SCHEMBL7490798

O=C1NCCNCCCNCCNC(=O)C1Cc1ccc(CC2C(=O)NCCNCCCNCCNC2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 7/20 0.39
MEN1 O00255 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2C P18825 1/20 0.39
CCR2 P41597 1/20 0.39
CXCL12 P48061 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GSK3B P49841 2/20 0.36
CTSD P07339 4/20 0.34
GBA1 P04062 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL577288 0.92 GBA1 (0.46) GSK3BCTSDGBA1
SCHEMBL575811 0.88 GBA1 (0.46) GSK3BCTSDGBA1
SCHEMBL10338620 0.88 CXCR4 (0.32) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL577179 0.86 GBA1 (0.47) GSK3BCTSDGBA1
SCHEMBL10374632 0.86 MLNR (0.42) KMT2ACTSDGAA
SCHEMBL576797 0.86 GBA1 (0.50) GSK3BCTSDGBA1
SCHEMBL577564 0.86 GBA1 (0.50) GSK3BCTSDGBA1
SCHEMBL577053 0.86 GBA1 (0.50) GSK3BCTSDGBA1
SCHEMBL9098473 0.84 PSEN1 (0.41) HRH3GAA
SCHEMBL10433082 0.81 KCNJ1 (0.47) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223166-A1 Linked cyclic polyamines with activity against hiv. AnorMED Inc. (CA) 2002-07-17 EP disclosed
EP-0619813-A1 LINKED CYCLIC POLYAMINES WITH ACTIVITY AGAINST HIV JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1994-10-19 EP disclosed
WO-1993012096-A1 LINKED CYCLIC POLYAMINES WITH ACTIVITY AGAINST HIV JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1993-06-24 WO disclosed