SCHEMBL4625258

SCHEMBL4625258

CC(C)CN(CC(C)C)C(CCCN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.41
CPB2 Q96IY4 6/20 0.40
GSR P00390 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
BLM P54132 2/20 0.36
CPB1 P15086 1/20 0.34
SLC7A5 Q01650 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GABRR3 A8MPY1 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
HDAC3 O15379 1/20 0.31
GABBR2 O75899 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4625260 1.00 GABRR1 (0.41) GABRR1CPB2GSRSLC1A3SLC1A2
SCHEMBL7281760 0.81 CPB2 (0.42) GABRR1CPB2GSRSLC1A3SLC1A2
SCHEMBL7281767 0.81 CPB2 (0.42) GABRR1CPB2GSRSLC1A3SLC1A2
SCHEMBL6009873 0.79 CPB2 (0.38) GABRR1CPB2GSRRNPEP
SCHEMBL17872153 0.79 CPB2 (0.44) GABRR1CPB2GSRRNPEPBLM
SCHEMBL17872154 0.79 CPB2 (0.44) GABRR1CPB2GSRRNPEPBLM
SCHEMBL25238647 0.76 CPB2 (0.45) GABRR1CPB2GSRRNPEPBLM
SCHEMBL527672 0.76 CPB2 (0.45) GABRR1CPB2GSRRNPEPBLM
SCHEMBL7323886 0.76 CPB2 (0.45) GABRR1CPB2GSRRNPEPBLM
SCHEMBL4298060 0.76 GSR (0.48) GABRR1CPB2GSRSLC1A2SLC1A1

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
CN-101395173-B Template-fixed peptidomimetics with antimicrobial activity POLYPHOR LTD 2013-03-13 CN disclosed
CN-1802385-B Template-fixed beta-hairpin peptidomimetics with CXCR4 antagonizing activity POLYPHOR AG 2011-11-09 CN disclosed
CN-101395173-A Template-fixed peptidomimetics with antimicrobial activity POLYPHOR LTD (CH) 2009-03-25 CN disclosed
EP-1979374-A2 TEMPLATE-FIXED PEPTIDOMIMETICS Polyphor Ltd. (CH) 2008-10-15 EP disclosed
EP-1879911-A1 DYE CONJUGATES OF TEMPLATE-FIXED PEPTIDOMIMETICS Polyphor Ltd. (CH) 2008-01-23 EP disclosed
EP-1856140-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH PROTEASE INHIBITORY ACTIVITY Polyphor Ltd. (CH) 2007-11-21 EP disclosed
WO-2007079605-A2 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIMICROBIAL ACTIVITY POLYPHOR LTD. (CH) 2007-07-19 WO disclosed
WO-2006117011-A1 DYE CONJUGATES OF TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR LTD. (CH) 2006-11-09 WO disclosed
WO-2006087001-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH PROTEASE INHIBITORY ACTIVITY POLYPHOR LTD. (CH) 2006-08-24 WO disclosed
CN-1802385-A Template-fixed beta-hairpin peptidomimetics with CXCR4 antagonizing activity POLYPHOR AG (CH) 2006-07-12 CN disclosed