SCHEMBL688144

SCHEMBL688144

C=Cc1ccc(CN2CCCNCCNCCCNCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 16/20 0.77
HRH3 Q9Y5N1 2/20 0.77
MEN1 O00255 1/20 0.77
CHRM2 P08172 1/20 0.77
CHRM1 P11229 1/20 0.77
ADRA2C P18825 1/20 0.77
CCR2 P41597 1/20 0.77
CXCL12 P48061 1/20 0.77
BLM P54132 1/20 0.77
KMT2A Q03164 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
SIGMAR1 Q99720 2/20 0.50

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
SCHEMBL18038933 0.92 CXCR4 (0.62) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL1809141 0.92 CXCR4 (0.62) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL6081959 0.91 SIGMAR1 (0.59) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL6082069 0.89 CXCR4 (0.60) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL7744895 0.89 SIGMAR1 (0.58) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL6082242 0.89 CXCR4 (0.60) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL29490414 0.87 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL5611617 0.87 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL19038 0.87 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL414153 0.86 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841384-B2 Material comprising polyazacycloalkanes, grafted on polypropylene fibres, its process of preparation, and process for removing metal cations from a liquid COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2014-09-23 US disclosed
US-8841384-B2 Material comprising polyazacycloalkanes, grafted on polypropylene fibres, its process of preparation, and process for removing metal cations from a liquid COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2014-09-23 US disclosed
US-8841384-B2 Material comprising polyazacycloalkanes, grafted on polypropylene fibres, its process of preparation, and process for removing metal cations from a liquid COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2014-09-23 US disclosed
EP-2109632-B1 MATERIAL COMPRISING POLYAZACYCLOALKANES GRAFTED ONTO POLYPROPYLENE FIBRES METHOD FOR PRODUCTION THEREOF AND METHOD FOR REMOVAL OF METAL CATIONS FROM A LIQUID COMMISSARIAT ENERGIE ATOMIQUE (FR) 2012-02-29 EP disclosed
US-20100059446-A1 MATERIAL COMPRISING POLYAZACYCLOALKANES, GRAFTED ON POLYPROPYLENE FIBRES, ITS PROCESS OF PREPARATION, AND PROCESS FOR REMOVING METAL CATIONS FROM A LIQUID COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-03-11 US disclosed
US-20100059446-A1 MATERIAL COMPRISING POLYAZACYCLOALKANES, GRAFTED ON POLYPROPYLENE FIBRES, ITS PROCESS OF PREPARATION, AND PROCESS FOR REMOVING METAL CATIONS FROM A LIQUID COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-03-11 US disclosed
US-20100059446-A1 MATERIAL COMPRISING POLYAZACYCLOALKANES, GRAFTED ON POLYPROPYLENE FIBRES, ITS PROCESS OF PREPARATION, AND PROCESS FOR REMOVING METAL CATIONS FROM A LIQUID COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-03-11 US disclosed
EP-2109632-A2 MATERIAL COMPRISING POLYAZACYCLOALKANES GRAFTED ONTO POLYPROPYLENE FIBRES METHOD FOR PRODUCTION THEREOF AND METHOD FOR REMOVAL OF METAL CATIONS FROM A LIQUID Commissariat à l'Energie Atomique (FR) 2009-10-21 EP disclosed
WO-2008099114-A2 MATERIAL COMPRISING POLYAZACYCLOALKANES GRAFTED ONTO POLYPROPYLENE FIBRES METHOD FOR PRODUCTION THEREOF AND METHOD FOR REMOVAL OF METAL CATIONS FROM A LIQUID COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-08-21 WO disclosed
WO-2008099114-A2 MATERIAL COMPRISING POLYAZACYCLOALKANES GRAFTED ONTO POLYPROPYLENE FIBRES METHOD FOR PRODUCTION THEREOF AND METHOD FOR REMOVAL OF METAL CATIONS FROM A LIQUID COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-08-21 WO disclosed